1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine

C15H24ClN3 — CID 62644602

IUPAC1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
SMILESCCN1CCN(CCC(N)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3/c1-2-18-9-11-19(12-10-18)8-7-15(17)13-3-5-14(16)6-4-13/h3-6,15H,2,7-12,17H2,1H3
InChIKeyXODCYEDIUWCEPQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine

1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine (PubChem CID 62644602) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
PubChem CID62644602
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
SMILESCCN1CCN(CCC(N)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3/c1-2-18-9-11-19(12-10-18)8-7-15(17)13-3-5-14(16)6-4-13/h3-6,15H,2,7-12,17H2,1H3
InChIKeyXODCYEDIUWCEPQ-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine (CID 62644602) is 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine is CCN1CCN(CCC(N)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine?
The InChIKey is XODCYEDIUWCEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-2-18-9-11-19(12-10-18)8-7-15(17)13-3-5-14(16)6-4-13/h3-6,15H,2,7-12,17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine?
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62644602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).