1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one

C21H25NO2 — CID 56918400

IUPAC1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CCCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C21H25NO2/c23-20-11-8-18(9-12-20)15-22-14-4-7-19(16-22)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13-16H2
InChIKeySOAYATPGMFHHFX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.81
Rot. Bonds6

About 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one

1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one (PubChem CID 56918400) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
PubChem CID56918400
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CCCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C21H25NO2/c23-20-11-8-18(9-12-20)15-22-14-4-7-19(16-22)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13-16H2
InChIKeySOAYATPGMFHHFX-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-[(3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 25448073
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95727068

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one (CID 56918400) is 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)C1CCCN(Cc2ccc(O)cc2)C1.
What is the InChIKey of 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is SOAYATPGMFHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20-11-8-18(9-12-20)15-22-14-4-7-19(16-22)21(24)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,19,23H,4,7,10,13-16H2.
What are the key properties of 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 56918400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).