(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone

C15H21NO — CID 116613962

IUPAC(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCc1cc(C)cc(C(=O)C2(C)CCCCN2)c1
InChIInChI=1S/C15H21NO/c1-11-8-12(2)10-13(9-11)14(17)15(3)6-4-5-7-16-15/h8-10,16H,4-7H2,1-3H3
InChIKeyUKMQGCOEIZMQJL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds2

About (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone

(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone (PubChem CID 116613962) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
PubChem CID116613962
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
SMILESCc1cc(C)cc(C(=O)C2(C)CCCCN2)c1
InChIInChI=1S/C15H21NO/c1-11-8-12(2)10-13(9-11)14(17)15(3)6-4-5-7-16-15/h8-10,16H,4-7H2,1-3H3
InChIKeyUKMQGCOEIZMQJL-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 104597094
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone (CID 116613962) is (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone is Cc1cc(C)cc(C(=O)C2(C)CCCCN2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone?
The InChIKey is UKMQGCOEIZMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-8-12(2)10-13(9-11)14(17)15(3)6-4-5-7-16-15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone?
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 116613962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).