(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one

C13H18ClN3O — CID 28933878

IUPAC(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-10(15)13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14/h2-5,10H,6-9,15H2,1H3/t10-/m0/s1
InChIKeySVDWDOVEJNNNPV-JTQLQIEISA-N
MW267.76 g/mol
LogP1.34
Rot. Bonds2

About (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 28933878) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
PubChem CID28933878
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O/c1-10(15)13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14/h2-5,10H,6-9,15H2,1H3/t10-/m0/s1
InChIKeySVDWDOVEJNNNPV-JTQLQIEISA-N
XLogP1.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 18545021
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
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
(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120873636
(2R)-2-amino-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 78973438
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660
2-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 1240265
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one (CID 28933878) is (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is SVDWDOVEJNNNPV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(15)13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14/h2-5,10H,6-9,15H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 267.76 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 28933878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).