2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride

C15H23Cl2N3O — CID 18545021

IUPAC2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(N)C(=O)N1CCN(c2ccccc2Cl)CC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-11(2)14(17)15(20)19-9-7-18(8-10-19)13-6-4-3-5-12(13)16;/h3-6,11,14H,7-10,17H2,1-2H3;1H
InChIKeyAIGLAEAXRHZVJT-UHFFFAOYSA-N
MW332.27 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride

2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride (PubChem CID 18545021) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.27 g/mol. Its IUPAC name is 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
PubChem CID18545021
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.27 g/mol
Exact Mass331.12
IUPAC Name2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(N)C(=O)N1CCN(c2ccccc2Cl)CC1.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-11(2)14(17)15(20)19-9-7-18(8-10-19)13-6-4-3-5-12(13)16;/h3-6,11,14H,7-10,17H2,1-2H3;1H
InChIKeyAIGLAEAXRHZVJT-UHFFFAOYSA-N
XLogP2.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
(2S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylbutan-1-one
CID 167772896
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
CID 142506773
benzyl N-[(2S)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 27535993
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride (CID 18545021) is 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride is CC(C)C(N)C(=O)N1CCN(c2ccccc2Cl)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
The InChIKey is AIGLAEAXRHZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.ClH/c1-11(2)14(17)15(20)19-9-7-18(8-10-19)13-6-4-3-5-12(13)16;/h3-6,11,14H,7-10,17H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride?
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride has a molecular weight of 332.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 18545021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).