1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone

C15H22N2O — CID 43222563

IUPAC1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-12(14-6-4-3-5-7-14)16-15-8-10-17(11-9-15)13(2)18/h3-7,12,15-16H,8-11H2,1-2H3
InChIKeyQKGNFCSOSILSPK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds3

About 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone

1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone (PubChem CID 43222563) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
PubChem CID43222563
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c1-12(14-6-4-3-5-7-14)16-15-8-10-17(11-9-15)13(2)18/h3-7,12,15-16H,8-11H2,1-2H3
InChIKeyQKGNFCSOSILSPK-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 152567393
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
N,N-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxamide
CID 83206240
N,N-dimethyl-4-(1-phenylethylamino)piperidine-1-carboxamide
CID 83205698
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
CID 43783246
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone (CID 43222563) is 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone?
The InChIKey is QKGNFCSOSILSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(14-6-4-3-5-7-14)16-15-8-10-17(11-9-15)13(2)18/h3-7,12,15-16H,8-11H2,1-2H3.
What are the key properties of 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone?
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43222563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).