1-phenyl-3-piperidin-2-ylpropan-2-one

C14H19NO — CID 22237365

IUPAC1-phenyl-3-piperidin-2-ylpropan-2-one
SMILESO=C(Cc1ccccc1)CC1CCCCN1
InChIInChI=1S/C14H19NO/c16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15-13/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyKMKCKPZBXHXPIH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.33
Rot. Bonds4

About 1-phenyl-3-piperidin-2-ylpropan-2-one

1-phenyl-3-piperidin-2-ylpropan-2-one (PubChem CID 22237365) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-phenyl-3-piperidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-phenyl-3-piperidin-2-ylpropan-2-one
PubChem CID22237365
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-phenyl-3-piperidin-2-ylpropan-2-one
SMILESO=C(Cc1ccccc1)CC1CCCCN1
InChIInChI=1S/C14H19NO/c16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15-13/h1-3,6-7,13,15H,4-5,8-11H2
InChIKeyKMKCKPZBXHXPIH-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-phenylpropan-2-one
CID 116595361
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
piperidin-2-yl 2-phenylacetate
CID 154340125
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-piperidin-2-ylpropan-2-one?
The IUPAC name of 1-phenyl-3-piperidin-2-ylpropan-2-one (CID 22237365) is 1-phenyl-3-piperidin-2-ylpropan-2-one.
What is the SMILES notation for 1-phenyl-3-piperidin-2-ylpropan-2-one?
The canonical SMILES for 1-phenyl-3-piperidin-2-ylpropan-2-one is O=C(Cc1ccccc1)CC1CCCCN1.
What is the InChIKey of 1-phenyl-3-piperidin-2-ylpropan-2-one?
The InChIKey is KMKCKPZBXHXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15-13/h1-3,6-7,13,15H,4-5,8-11H2.
What are the key properties of 1-phenyl-3-piperidin-2-ylpropan-2-one?
1-phenyl-3-piperidin-2-ylpropan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-piperidin-2-ylpropan-2-one is sourced from PubChem (CID 22237365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).