1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone

C15H21NO — CID 142372799

IUPAC1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CN2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO/c1-12-4-3-9-16(10-12)11-14-5-7-15(8-6-14)13(2)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyNHKFICGGVJZUBI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.12
Rot. Bonds3

About 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone

1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone (PubChem CID 142372799) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
PubChem CID142372799
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CN2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO/c1-12-4-3-9-16(10-12)11-14-5-7-15(8-6-14)13(2)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyNHKFICGGVJZUBI-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
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CID 43885844
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
4-acetyl-2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]benzonitrile
CID 133456157
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
1-benzyl-3-methylpiperidine
CID 2794856
4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294025
4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzaldehyde
CID 97294026
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone (CID 142372799) is 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(CN2CCCC(C)C2)cc1.
What is the InChIKey of 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone?
The InChIKey is NHKFICGGVJZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-3-9-16(10-12)11-14-5-7-15(8-6-14)13(2)17/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone?
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 142372799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).