4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol

C16H17ClN2O — CID 90895092

IUPAC4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17ClN2O/c17-14-6-4-13(5-7-14)16(20)8-11-19(12-9-16)15-3-1-2-10-18-15/h1-7,10,20H,8-9,11-12H2
InChIKeyJFARXOBVZPHGNJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.22
Rot. Bonds2

About 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol

4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol (PubChem CID 90895092) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol
PubChem CID90895092
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(c2ccccn2)CC1
InChIInChI=1S/C16H17ClN2O/c17-14-6-4-13(5-7-14)16(20)8-11-19(12-9-16)15-3-1-2-10-18-15/h1-7,10,20H,8-9,11-12H2
InChIKeyJFARXOBVZPHGNJ-UHFFFAOYSA-N
XLogP3.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol (CID 90895092) is 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(c2ccccn2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol?
The InChIKey is JFARXOBVZPHGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-14-6-4-13(5-7-14)16(20)8-11-19(12-9-16)15-3-1-2-10-18-15/h1-7,10,20H,8-9,11-12H2.
What are the key properties of 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol?
4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol has a molecular weight of 288.78 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-pyridin-2-ylpiperidin-4-ol is sourced from PubChem (CID 90895092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).