(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C17H25NO — CID 21025498

IUPAC(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H25NO/c1-12(2)15-5-7-18(8-6-15)17(19)16-10-13(3)9-14(4)11-16/h9-12,15H,5-8H2,1-4H3
InChIKeyCBFJVWVIHMIBGH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.81
Rot. Bonds2

About (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 21025498) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID21025498
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H25NO/c1-12(2)15-5-7-18(8-6-15)17(19)16-10-13(3)9-14(4)11-16/h9-12,15H,5-8H2,1-4H3
InChIKeyCBFJVWVIHMIBGH-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064706
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
1-(3-bromo-5-methylbenzoyl)piperidine-4-carbothioamide
CID 104851586
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850
(3,5-dimethylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7242278
(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
CID 142986703
(4-amino-3-bromophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495489
3-(4-propan-2-ylpiperidine-1-carbonyl)benzenecarbothioamide
CID 103495637
(4-bromopiperidin-1-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324253

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 21025498) is (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is Cc1cc(C)cc(C(=O)N2CCC(C(C)C)CC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is CBFJVWVIHMIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)15-5-7-18(8-6-15)17(19)16-10-13(3)9-14(4)11-16/h9-12,15H,5-8H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 21025498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).