(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone

C16H22ClNO — CID 57128692

IUPAC(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO/c1-12(2)11-18-9-7-14(8-10-18)16(19)13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3
InChIKeyZKADXIGYGARXAX-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.89
Rot. Bonds4

About (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 57128692) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
PubChem CID57128692
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO/c1-12(2)11-18-9-7-14(8-10-18)16(19)13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3
InChIKeyZKADXIGYGARXAX-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylpropyl)piperidin-4-yl]-pyridin-4-ylmethanone
CID 174877965
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
1-(4-chlorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]butane-1,4-dione
CID 112765530
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 22322231
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone (CID 57128692) is (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone is CC(C)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is ZKADXIGYGARXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12(2)11-18-9-7-14(8-10-18)16(19)13-3-5-15(17)6-4-13/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 279.81 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 57128692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).