1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one

C16H23ClN2O — CID 119520449

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
SMILESCC(C(=O)N1CCC(C(C)N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11(14-4-3-5-15(17)10-14)16(20)19-8-6-13(7-9-19)12(2)18/h3-5,10-13H,6-9,18H2,1-2H3
InChIKeyZVQBGHNYEFJOST-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.03
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one (PubChem CID 119520449) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
PubChem CID119520449
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
SMILESCC(C(=O)N1CCC(C(C)N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11(14-4-3-5-15(17)10-14)16(20)19-8-6-13(7-9-19)12(2)18/h3-5,10-13H,6-9,18H2,1-2H3
InChIKeyZVQBGHNYEFJOST-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
2-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119638893
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 119516866
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 119517369
1-[2-(3-chlorophenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118112
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 119518846
[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
CID 102602947

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one (CID 119520449) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one is CC(C(=O)N1CCC(C(C)N)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one?
The InChIKey is ZVQBGHNYEFJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(14-4-3-5-15(17)10-14)16(20)19-8-6-13(7-9-19)12(2)18/h3-5,10-13H,6-9,18H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 119520449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).