1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol

C15H25N3O — CID 43245851

IUPAC1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1cccc(N2CCN(CC(O)CN)CC2)c1C
InChIInChI=1S/C15H25N3O/c1-12-4-3-5-15(13(12)2)18-8-6-17(7-9-18)11-14(19)10-16/h3-5,14,19H,6-11,16H2,1-2H3
InChIKeyUVHXIUWPHSWNJV-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.75
Rot. Bonds4

About 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol

1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 43245851) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID43245851
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1cccc(N2CCN(CC(O)CN)CC2)c1C
InChIInChI=1S/C15H25N3O/c1-12-4-3-5-15(13(12)2)18-8-6-17(7-9-18)11-14(19)10-16/h3-5,14,19H,6-11,16H2,1-2H3
InChIKeyUVHXIUWPHSWNJV-UHFFFAOYSA-N
XLogP0.75
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
CID 46557377
1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 58358793
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
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
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
methyl 2-bromo-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoate
CID 81091395
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 17453704
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol (CID 43245851) is 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol is Cc1cccc(N2CCN(CC(O)CN)CC2)c1C.
What is the InChIKey of 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is UVHXIUWPHSWNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-4-3-5-15(13(12)2)18-8-6-17(7-9-18)11-14(19)10-16/h3-5,14,19H,6-11,16H2,1-2H3.
What are the key properties of 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol?
1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 43245851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).