1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone

C15H21ClN2O — CID 43223681

IUPAC1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(14-5-3-4-6-15(14)16)17-13-7-9-18(10-8-13)12(2)19/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyONINPYURHPLRND-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone

1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43223681) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43223681
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O/c1-11(14-5-3-4-6-15(14)16)17-13-7-9-18(10-8-13)12(2)19/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyONINPYURHPLRND-UHFFFAOYSA-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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-butyl-N-[1-(2-chlorophenyl)ethyl]piperidin-4-amine
CID 43748320
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-(1-acetylpiperidin-4-yl)-2-[1-(2-chlorophenyl)ethyl-cyclopropylamino]acetamide
CID 60523581
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
1-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone (CID 43223681) is 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is ONINPYURHPLRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(14-5-3-4-6-15(14)16)17-13-7-9-18(10-8-13)12(2)19/h3-6,11,13,17H,7-10H2,1-2H3.
What are the key properties of 1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[1-(2-chlorophenyl)ethylamino]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-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43223681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).