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

C14H23N3O — CID 82297180

IUPAC1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccccc1N1CCN(CC(O)CN)CC1
InChIInChI=1S/C14H23N3O/c1-12-4-2-3-5-14(12)17-8-6-16(7-9-17)11-13(18)10-15/h2-5,13,18H,6-11,15H2,1H3
InChIKeyHCGSRVXLIJGRRX-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.44
Rot. Bonds4

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

1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 82297180) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID82297180
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccccc1N1CCN(CC(O)CN)CC1
InChIInChI=1S/C14H23N3O/c1-12-4-2-3-5-14(12)17-8-6-16(7-9-17)11-13(18)10-15/h2-5,13,18H,6-11,15H2,1H3
InChIKeyHCGSRVXLIJGRRX-UHFFFAOYSA-N
XLogP0.44
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 43245851
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135
1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 58358793
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
4-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 54435998
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
CID 20980348
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-(2-hydroxybutyl)piperazin-1-yl]phenol
CID 111105846
1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
CID 73348151

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol (CID 82297180) is 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol is Cc1ccccc1N1CCN(CC(O)CN)CC1.
What is the InChIKey of 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is HCGSRVXLIJGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-4-2-3-5-14(12)17-8-6-16(7-9-17)11-13(18)10-15/h2-5,13,18H,6-11,15H2,1H3.
What are the key properties of 1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol?
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 0.44, 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-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 82297180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).