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

C21H25NO — CID 110184706

IUPAC2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C21H25NO/c1-17(21(23)20-12-6-3-7-13-20)22-14-8-11-19(16-22)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19H,8,11,14-16H2,1H3
InChIKeyLPWHCWWDRHHERJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.21
Rot. Bonds5

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

2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 110184706) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID110184706
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C21H25NO/c1-17(21(23)20-12-6-3-7-13-20)22-14-8-11-19(16-22)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19H,8,11,14-16H2,1H3
InChIKeyLPWHCWWDRHHERJ-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228009
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one (CID 110184706) is 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is LPWHCWWDRHHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-17(21(23)20-12-6-3-7-13-20)22-14-8-11-19(16-22)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19H,8,11,14-16H2,1H3.
What are the key properties of 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one has a molecular weight of 307.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 110184706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).