5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile

C21H24ClN3O — CID 10809142

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1
InChIInChI=1S/C21H24ClN3O/c22-20-7-5-19(6-8-20)21(26)9-13-25(14-10-21)12-2-4-17(15-23)18-3-1-11-24-16-18/h1,3,5-8,11,16-17,26H,2,4,9-10,12-14H2
InChIKeyFTXILANFHMOFMW-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.11
Rot. Bonds6

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile (PubChem CID 10809142) 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-3-ylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile
PubChem CID10809142
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile
SMILESN#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1
InChIInChI=1S/C21H24ClN3O/c22-20-7-5-19(6-8-20)21(26)9-13-25(14-10-21)12-2-4-17(15-23)18-3-1-11-24-16-18/h1,3,5-8,11,16-17,26H,2,4,9-10,12-14H2
InChIKeyFTXILANFHMOFMW-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-3-ylpentanenitrile?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile (CID 10809142) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile is N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile?
The InChIKey is FTXILANFHMOFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-20-7-5-19(6-8-20)21(26)9-13-25(14-10-21)12-2-4-17(15-23)18-3-1-11-24-16-18/h1,3,5-8,11,16-17,26H,2,4,9-10,12-14H2.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-ylpentanenitrile?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-pyridin-3-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-3-ylpentanenitrile is sourced from PubChem (CID 10809142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).