1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.

Pyridinylpiperazines

Organic compounds

Organoheterocyclic compounds

Diazinanes

Piperazines

Calculated Property

kind Value Source
logP 4.32 ALOGPS
logS -3.3 ALOGPS
Water Solubility 1.90e-01 g/l ALOGPS
logP 4.43 ChemAxon
IUPAC Name (2S)-1-(4-cyclohexylphenoxy)-3-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-ol ChemAxon
Traditional IUPAC Name (2S)-1-(4-cyclohexylphenoxy)-3-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-ol ChemAxon
Molecular Weight 395.5377 ChemAxon
Monoisotopic Weight 395.257277315 ChemAxon
SMILES [H][C@@](O)(COC1=CC=C(C=C1)C1CCCCC1)CN1CCN(CC1)C1=CC=CC=N1 ChemAxon
Molecular Formula C24H33N3O2 ChemAxon
InChI InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1 ChemAxon
InChIKey InChIKey=BZJHCQBNFUNZPJ-QFIPXVFZSA-N ChemAxon
Polar Surface Area (PSA) 48.83 ChemAxon
Refractivity 117.4 ChemAxon
Polarizability 46.2 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 14.08 ChemAxon
pKa (strongest basic) 7.25 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Genome polyprotein : in HRV-14