1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone

C15H21ClN2O — CID 81352402

IUPAC1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(13-3-5-14(16)6-4-13)17-15-7-9-18(10-8-15)12(2)19/h3-6,11,15,17H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyDOULPKZKPPFXJP-NSHDSACASA-N
MW280.80 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone

1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone (PubChem CID 81352402) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
PubChem CID81352402
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(13-3-5-14(16)6-4-13)17-15-7-9-18(10-8-15)12(2)19/h3-6,11,15,17H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyDOULPKZKPPFXJP-NSHDSACASA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
1-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
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-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
4-[1-(4-chlorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43748795
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone (CID 81352402) is 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N[C@@H](C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone?
The InChIKey is DOULPKZKPPFXJP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(13-3-5-14(16)6-4-13)17-15-7-9-18(10-8-15)12(2)19/h3-6,11,15,17H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone?
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone has a molecular weight of 280.80 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 81352402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).