2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine

C14H23N3 — CID 4521453

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine
SMILESCc1cccc(N2CCN(CCN)CC2)c1C
InChIInChI=1S/C14H23N3/c1-12-4-3-5-14(13(12)2)17-10-8-16(7-6-15)9-11-17/h3-5H,6-11,15H2,1-2H3
InChIKeyXBLQGJHCMWDBPU-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.38
Rot. Bonds3

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine (PubChem CID 4521453) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine
PubChem CID4521453
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine
SMILESCc1cccc(N2CCN(CCN)CC2)c1C
InChIInChI=1S/C14H23N3/c1-12-4-3-5-14(13(12)2)17-10-8-16(7-6-15)9-11-17/h3-5H,6-11,15H2,1-2H3
InChIKeyXBLQGJHCMWDBPU-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine (CID 4521453) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine is Cc1cccc(N2CCN(CCN)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine?
The InChIKey is XBLQGJHCMWDBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-4-3-5-14(13(12)2)17-10-8-16(7-6-15)9-11-17/h3-5H,6-11,15H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 4521453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).