5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile

C21H24ClN3O — CID 10737864

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1
InChIInChI=1S/C21H24ClN3O/c22-19-8-6-18(7-9-19)21(26)10-14-25(15-11-21)13-3-4-17(16-23)20-5-1-2-12-24-20/h1-2,5-9,12,17,26H,3-4,10-11,13-15H2
InChIKeyILAFZQLQCWVDDO-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.11
Rot. Bonds6

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile (PubChem CID 10737864) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile
PubChem CID10737864
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1
InChIInChI=1S/C21H24ClN3O/c22-19-8-6-18(7-9-19)21(26)10-14-25(15-11-21)13-3-4-17(16-23)20-5-1-2-12-24-20/h1-2,5-9,12,17,26H,3-4,10-11,13-15H2
InChIKeyILAFZQLQCWVDDO-UHFFFAOYSA-N
XLogP4.11
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile (CID 10737864) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile is N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile?
The InChIKey is ILAFZQLQCWVDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-19-8-6-18(7-9-19)21(26)10-14-25(15-11-21)13-3-4-17(16-23)20-5-1-2-12-24-20/h1-2,5-9,12,17,26H,3-4,10-11,13-15H2.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile has a molecular weight of 369.90 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-2-ylpentanenitrile is sourced from PubChem (CID 10737864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).