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

C13H20ClN3 — CID 43118109

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H20ClN3/c1-11(10-15)16-6-8-17(9-7-16)13-5-3-2-4-12(13)14/h2-5,11H,6-10,15H2,1H3
InChIKeyPTVUAYDOVSXENJ-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.81
Rot. Bonds3

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

2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine (PubChem CID 43118109) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
PubChem CID43118109
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H20ClN3/c1-11(10-15)16-6-8-17(9-7-16)13-5-3-2-4-12(13)14/h2-5,11H,6-10,15H2,1H3
InChIKeyPTVUAYDOVSXENJ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine (CID 43118109) is 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is PTVUAYDOVSXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-11(10-15)16-6-8-17(9-7-16)13-5-3-2-4-12(13)14/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine?
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 253.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 43118109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).