1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one

C16H23NO — CID 91066531

IUPAC1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14(18)13-16-8-11-17(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3
InChIKeyMTUSJDKKLJMTFV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.92
Rot. Bonds5

About 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one

1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one (PubChem CID 91066531) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
PubChem CID91066531
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14(18)13-16-8-11-17(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3
InChIKeyMTUSJDKKLJMTFV-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2-phenylethyl)piperidine
CID 86059939
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
(E)-but-2-enedioic acid;N-phenyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 158094757
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one (CID 91066531) is 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one?
The InChIKey is MTUSJDKKLJMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(18)13-16-8-11-17(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one?
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one has a molecular weight of 245.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one is sourced from PubChem (CID 91066531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).