1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine

C14H23N3 — CID 102550761

IUPAC1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
SMILESCc1ccccc1N1CCN(CC(C)N)CC1
InChIInChI=1S/C14H23N3/c1-12-5-3-4-6-14(12)17-9-7-16(8-10-17)11-13(2)15/h3-6,13H,7-11,15H2,1-2H3
InChIKeyNLKVBHBSBRPHAA-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.46
Rot. Bonds3

About 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine

1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine (PubChem CID 102550761) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
PubChem CID102550761
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
SMILESCc1ccccc1N1CCN(CC(C)N)CC1
InChIInChI=1S/C14H23N3/c1-12-5-3-4-6-14(12)17-9-7-16(8-10-17)11-13(2)15/h3-6,13H,7-11,15H2,1-2H3
InChIKeyNLKVBHBSBRPHAA-UHFFFAOYSA-N
XLogP1.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-amino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 82297180
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
CID 20980348
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
(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
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylpentan-1-amine
CID 104681822
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135
7-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]-5-methylheptan-2-amine
CID 144829981

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine (CID 102550761) is 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine is Cc1ccccc1N1CCN(CC(C)N)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine?
The InChIKey is NLKVBHBSBRPHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-5-3-4-6-14(12)17-9-7-16(8-10-17)11-13(2)15/h3-6,13H,7-11,15H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine?
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 102550761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).