(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C15H20ClNO — CID 21025470

IUPAC(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClNO/c1-11(2)12-7-9-17(10-8-12)15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGUVRENININIAMU-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.85
Rot. Bonds2

About (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 21025470) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID21025470
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClNO/c1-11(2)12-7-9-17(10-8-12)15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGUVRENININIAMU-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504969
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 21025470) is (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is GUVRENININIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11(2)12-7-9-17(10-8-12)15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 265.78 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 21025470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).