(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone

C13H16ClNO — CID 116613964

IUPAC(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccccc2Cl)CCCCN1
InChIInChI=1S/C13H16ClNO/c1-13(8-4-5-9-15-13)12(16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyIZSDPVFDVGWRAB-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.05
Rot. Bonds2

About (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone

(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 116613964) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
PubChem CID116613964
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccccc2Cl)CCCCN1
InChIInChI=1S/C13H16ClNO/c1-13(8-4-5-9-15-13)12(16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyIZSDPVFDVGWRAB-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 116614015
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 107514916
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone (CID 116613964) is (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)c2ccccc2Cl)CCCCN1.
What is the InChIKey of (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is IZSDPVFDVGWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-13(8-4-5-9-15-13)12(16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone has a molecular weight of 237.73 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 116613964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).