(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone

C15H21NO — CID 142823511

IUPAC(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C)c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H21NO/c1-11-7-9-16(10-8-11)15(17)14-12(2)5-4-6-13(14)3/h4-6,11H,7-10H2,1-3H3
InChIKeyXOTPEUUTIQDXMX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds1

About (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone

(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 142823511) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID142823511
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C)c1C(=O)N1CCC(C)CC1
InChIInChI=1S/C15H21NO/c1-11-7-9-16(10-8-11)15(17)14-12(2)5-4-6-13(14)3/h4-6,11H,7-10H2,1-3H3
InChIKeyXOTPEUUTIQDXMX-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 110647524
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
8-methyl-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
CID 100794231
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138377966
3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
azetidin-1-yl-(2-bromo-6-methylphenyl)methanone
CID 130648617
(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835108
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 142823511) is (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1cccc(C)c1C(=O)N1CCC(C)CC1.
What is the InChIKey of (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XOTPEUUTIQDXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-7-9-16(10-8-11)15(17)14-12(2)5-4-6-13(14)3/h4-6,11H,7-10H2,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 142823511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).