2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one

C21H25NO — CID 45258253

IUPAC2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25NO/c1-17(21(23)20-10-6-3-7-11-20)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3
InChIKeyRDGLFLLOJBWOCR-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one

2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 45258253) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID45258253
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H25NO/c1-17(21(23)20-10-6-3-7-11-20)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3
InChIKeyRDGLFLLOJBWOCR-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)propanoic acid
CID 20986530
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
[(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-(4-benzylpiperidin-1-yl)propanoate
CID 95309429
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one (CID 45258253) is 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is RDGLFLLOJBWOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-17(21(23)20-10-6-3-7-11-20)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one?
2-(4-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-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 45258253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).