1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one

C16H23NO — CID 83983411

IUPAC1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H23NO/c1-3-16(18)15-7-9-17(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3
InChIKeyYQMWMAZIAXPUBC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one

1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one (PubChem CID 83983411) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
PubChem CID83983411
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C16H23NO/c1-3-16(18)15-7-9-17(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3
InChIKeyYQMWMAZIAXPUBC-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 155981160
1-[1-[(3-methylphenyl)methyl]piperidin-3-yl]butan-1-one
CID 83982657
N-[(4-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46774651
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one (CID 83983411) is 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one is CCC(=O)C1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
The InChIKey is YQMWMAZIAXPUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-16(18)15-7-9-17(10-8-15)12-14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3.
What are the key properties of 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one?
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 83983411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).