1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride

C20H27ClN2O — CID 14810560

IUPAC1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride
SMILESCl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H26N2O.ClH/c23-20(18-10-3-1-4-11-18,19-12-5-6-14-21-19)13-9-17-22-15-7-2-8-16-22;/h1,3-6,10-12,14,23H,2,7-9,13,15-17H2;1H
InChIKeyKJTJRHMPQATJMI-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.01
Rot. Bonds6

About 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride

1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride (PubChem CID 14810560) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride
PubChem CID14810560
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride
SMILESCl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H26N2O.ClH/c23-20(18-10-3-1-4-11-18,19-12-5-6-14-21-19)13-9-17-22-15-7-2-8-16-22;/h1,3-6,10-12,14,23H,2,7-9,13,15-17H2;1H
InChIKeyKJTJRHMPQATJMI-UHFFFAOYSA-N
XLogP4.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride?
The IUPAC name of 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride (CID 14810560) is 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride is Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride?
The InChIKey is KJTJRHMPQATJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c23-20(18-10-3-1-4-11-18,19-12-5-6-14-21-19)13-9-17-22-15-7-2-8-16-22;/h1,3-6,10-12,14,23H,2,7-9,13,15-17H2;1H.
What are the key properties of 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride?
1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-piperidin-1-yl-1-pyridin-2-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 14810560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).