2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine

C13H20ClN3 — CID 3237236

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine
SMILESCc1ccc(Cl)cc1N1CCN(CCN)CC1
InChIInChI=1S/C13H20ClN3/c1-11-2-3-12(14)10-13(11)17-8-6-16(5-4-15)7-9-17/h2-3,10H,4-9,15H2,1H3
InChIKeyFDLZHXUULFVVAN-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine (PubChem CID 3237236) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine
PubChem CID3237236
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine
SMILESCc1ccc(Cl)cc1N1CCN(CCN)CC1
InChIInChI=1S/C13H20ClN3/c1-11-2-3-12(14)10-13(11)17-8-6-16(5-4-15)7-9-17/h2-3,10H,4-9,15H2,1H3
InChIKeyFDLZHXUULFVVAN-UHFFFAOYSA-N
XLogP1.73
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine (CID 3237236) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine is Cc1ccc(Cl)cc1N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine?
The InChIKey is FDLZHXUULFVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-11-2-3-12(14)10-13(11)17-8-6-16(5-4-15)7-9-17/h2-3,10H,4-9,15H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine has a molecular weight of 253.78 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 3237236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).