(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

C13H16ClNO — CID 668837

IUPAC(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyWLIZSQDLONVBDO-JTQLQIEISA-N
MW237.73 g/mol
LogP3.21
Rot. Bonds1

About (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone

(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 668837) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID668837
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyWLIZSQDLONVBDO-JTQLQIEISA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 668837) is (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is WLIZSQDLONVBDO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16ClNO/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 237.73 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 668837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).