(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone

C14H19NO — CID 3113385

IUPAC(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C14H19NO/c1-11-5-3-7-13(9-11)14(16)15-8-4-6-12(2)10-15/h3,5,7,9,12H,4,6,8,10H2,1-2H3
InChIKeySRHJVQDFOIXHFI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds1

About (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone

(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 3113385) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID3113385
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C14H19NO/c1-11-5-3-7-13(9-11)14(16)15-8-4-6-12(2)10-15/h3,5,7,9,12H,4,6,8,10H2,1-2H3
InChIKeySRHJVQDFOIXHFI-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056588
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzoate
CID 2401543
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone (CID 3113385) is (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone is Cc1cccc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SRHJVQDFOIXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-3-7-13(9-11)14(16)15-8-4-6-12(2)10-15/h3,5,7,9,12H,4,6,8,10H2,1-2H3.
What are the key properties of (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone?
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3113385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).