(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine

C15H25N3 — CID 22689441

IUPAC(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
SMILESCc1cccc(N2CCN(C[C@H](C)N)CC2)c1C
InChIInChI=1S/C15H25N3/c1-12-5-4-6-15(14(12)3)18-9-7-17(8-10-18)11-13(2)16/h4-6,13H,7-11,16H2,1-3H3/t13-/m0/s1
InChIKeyOQIKQQVBMAGNGA-ZDUSSCGKSA-N
MW247.39 g/mol
LogP1.77
Rot. Bonds3

About (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine

(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine (PubChem CID 22689441) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
PubChem CID22689441
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
SMILESCc1cccc(N2CCN(C[C@H](C)N)CC2)c1C
InChIInChI=1S/C15H25N3/c1-12-5-4-6-15(14(12)3)18-9-7-17(8-10-18)11-13(2)16/h4-6,13H,7-11,16H2,1-3H3/t13-/m0/s1
InChIKeyOQIKQQVBMAGNGA-ZDUSSCGKSA-N
XLogP1.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
methyl 2-bromo-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoate
CID 81091395
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 63028279
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110883261
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine (CID 22689441) is (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine is Cc1cccc(N2CCN(C[C@H](C)N)CC2)c1C.
What is the InChIKey of (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine?
The InChIKey is OQIKQQVBMAGNGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-5-4-6-15(14(12)3)18-9-7-17(8-10-18)11-13(2)16/h4-6,13H,7-11,16H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine?
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 22689441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).