5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one

C16H22ClNO2 — CID 134600401

IUPAC5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-13(19)3-2-10-18-11-8-16(20,9-12-18)14-4-6-15(17)7-5-14/h4-7,20H,2-3,8-12H2,1H3
InChIKeyWKOAIEYYEDSORG-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.99
Rot. Bonds5

About 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one

5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one (PubChem CID 134600401) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one
PubChem CID134600401
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO2/c1-13(19)3-2-10-18-11-8-16(20,9-12-18)14-4-6-15(17)7-5-14/h4-7,20H,2-3,8-12H2,1H3
InChIKeyWKOAIEYYEDSORG-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one?
The IUPAC name of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one (CID 134600401) is 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one is CC(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one?
The InChIKey is WKOAIEYYEDSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-13(19)3-2-10-18-11-8-16(20,9-12-18)14-4-6-15(17)7-5-14/h4-7,20H,2-3,8-12H2,1H3.
What are the key properties of 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one?
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one has a molecular weight of 295.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one is sourced from PubChem (CID 134600401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).