1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one

C15H21NO — CID 82289312

IUPAC1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2ccccc2C)CCNCC1
InChIInChI=1S/C15H21NO/c1-3-14(17)15(8-10-16-11-9-15)13-7-5-4-6-12(13)2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyXQZWLYYMFMDNHO-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one

1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one (PubChem CID 82289312) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
PubChem CID82289312
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2ccccc2C)CCNCC1
InChIInChI=1S/C15H21NO/c1-3-14(17)15(8-10-16-11-9-15)13-7-5-4-6-12(13)2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyXQZWLYYMFMDNHO-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5,5-dimethyl-3-(2-methylphenyl)-3-propanoyloxolan-2-one
CID 135007085
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
4-(2-methylphenyl)piperidin-4-amine
CID 70261882
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
1-[(4aR,10bR)-4a-methyl-1,2,3,4,5,6-hexahydrobenzo[f]isoquinolin-10b-yl]propan-1-one
CID 10377780
ethyl 4-(3-chloro-2-methylphenyl)piperidine-4-carboxylate
CID 20511819
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839
2-(2-methylphenyl)spiro[3.6]decane-2-carboxylic acid
CID 65007655
1-(2-methylphenyl)-2-(4-methylpiperidin-4-yl)ethanone
CID 66696378
1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one (CID 82289312) is 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one is CCC(=O)C1(c2ccccc2C)CCNCC1.
What is the InChIKey of 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one?
The InChIKey is XQZWLYYMFMDNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-14(17)15(8-10-16-11-9-15)13-7-5-4-6-12(13)2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one?
1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 82289312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).