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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Related Compounds

3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
CID 62643895
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 55159528
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
CID 115561907
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896

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).