1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone

C15H21NO — CID 63846016

IUPAC1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1Cc1ccccc1C
InChIInChI=1S/C15H21NO/c1-12-7-3-4-8-14(12)11-16-10-6-5-9-15(16)13(2)17/h3-4,7-8,15H,5-6,9-11H2,1-2H3
InChIKeyOBDCPLBFTXWNHH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds3

About 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone

1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone (PubChem CID 63846016) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
PubChem CID63846016
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1Cc1ccccc1C
InChIInChI=1S/C15H21NO/c1-12-7-3-4-8-14(12)11-16-10-6-5-9-15(16)13(2)17/h3-4,7-8,15H,5-6,9-11H2,1-2H3
InChIKeyOBDCPLBFTXWNHH-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
1-[1-[(4-iodophenyl)methyl]piperidin-2-yl]ethanone
CID 65476989
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone (CID 63846016) is 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone is CC(=O)C1CCCCN1Cc1ccccc1C.
What is the InChIKey of 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone?
The InChIKey is OBDCPLBFTXWNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-3-4-8-14(12)11-16-10-6-5-9-15(16)13(2)17/h3-4,7-8,15H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone?
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 63846016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).