1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one

C16H23NO — CID 82384810

IUPAC1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13(2)16(18)15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyBJMFCANUKKTFDU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds4

About 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one

1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one (PubChem CID 82384810) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
PubChem CID82384810
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13(2)16(18)15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyBJMFCANUKKTFDU-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
1-benzyl-3-prop-1-en-2-ylpiperidine
CID 174380345
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3S)-1-benzyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 93490464
methyl (3R)-3-[[(3R)-1-benzylpiperidine-3-carbonyl]amino]butanoate
CID 95967789

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one (CID 82384810) is 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one is CC(C)C(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one?
The InChIKey is BJMFCANUKKTFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)16(18)15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one?
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82384810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).