[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone

C18H24ClNO2 — CID 2809533

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClNO2/c19-16-8-6-15(7-9-16)18(22)10-12-20(13-11-18)17(21)14-4-2-1-3-5-14/h6-9,14,22H,1-5,10-13H2
InChIKeyPJFRMQHPFQKWMX-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.73
Rot. Bonds2

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone (PubChem CID 2809533) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
PubChem CID2809533
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClNO2/c19-16-8-6-15(7-9-16)18(22)10-12-20(13-11-18)17(21)14-4-2-1-3-5-14/h6-9,14,22H,1-5,10-13H2
InChIKeyPJFRMQHPFQKWMX-UHFFFAOYSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone (CID 2809533) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone?
The InChIKey is PJFRMQHPFQKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2/c19-16-8-6-15(7-9-16)18(22)10-12-20(13-11-18)17(21)14-4-2-1-3-5-14/h6-9,14,22H,1-5,10-13H2.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone has a molecular weight of 321.85 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 2809533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).