2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine

C17H29N3 — CID 81080109

IUPAC2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)CCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H29N3/c1-3-16(14-18)7-8-19-9-11-20(12-10-19)17-6-4-5-15(2)13-17/h4-6,13,16H,3,7-12,14,18H2,1-2H3
InChIKeyLHLJWVAYWHDLDQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.49
Rot. Bonds6

About 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine

2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine (PubChem CID 81080109) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
PubChem CID81080109
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)CCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H29N3/c1-3-16(14-18)7-8-19-9-11-20(12-10-19)17-6-4-5-15(2)13-17/h4-6,13,16H,3,7-12,14,18H2,1-2H3
InChIKeyLHLJWVAYWHDLDQ-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-ethylbutan-1-amine
CID 81084496
N-(1-aminohexan-2-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 119667631
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine (CID 81080109) is 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine is CCC(CN)CCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine?
The InChIKey is LHLJWVAYWHDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-16(14-18)7-8-19-9-11-20(12-10-19)17-6-4-5-15(2)13-17/h4-6,13,16H,3,7-12,14,18H2,1-2H3.
What are the key properties of 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine?
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 81080109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).