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

C13H16ClNO — CID 116614044

IUPAC(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(Cl)cc2)CCCCN1
InChIInChI=1S/C13H16ClNO/c1-13(8-2-3-9-15-13)12(16)10-4-6-11(14)7-5-10/h4-7,15H,2-3,8-9H2,1H3
InChIKeyYQAXFIWRVRRXMN-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.05
Rot. Bonds2

About (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone

(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 116614044) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
PubChem CID116614044
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(Cl)cc2)CCCCN1
InChIInChI=1S/C13H16ClNO/c1-13(8-2-3-9-15-13)12(16)10-4-6-11(14)7-5-10/h4-7,15H,2-3,8-9H2,1H3
InChIKeyYQAXFIWRVRRXMN-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

(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 90695211
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148
(4-chlorophenyl)-(1-hydroxycyclopentyl)methanone
CID 20523462

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone (CID 116614044) is (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)c2ccc(Cl)cc2)CCCCN1.
What is the InChIKey of (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is YQAXFIWRVRRXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-13(8-2-3-9-15-13)12(16)10-4-6-11(14)7-5-10/h4-7,15H,2-3,8-9H2,1H3.
What are the key properties of (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone?
(4-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 (4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 116614044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).