1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine

C18H31N3 — CID 62774582

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccc(C)cc2)C(C)N)CC1
InChIInChI=1S/C18H31N3/c1-5-15(3)20-10-12-21(13-11-20)18(16(4)19)17-8-6-14(2)7-9-17/h6-9,15-16,18H,5,10-13,19H2,1-4H3
InChIKeyYUSVLPZNKQZKCI-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine

1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine (PubChem CID 62774582) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
PubChem CID62774582
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
SMILESCCC(C)N1CCN(C(c2ccc(C)cc2)C(C)N)CC1
InChIInChI=1S/C18H31N3/c1-5-15(3)20-10-12-21(13-11-20)18(16(4)19)17-8-6-14(2)7-9-17/h6-9,15-16,18H,5,10-13,19H2,1-4H3
InChIKeyYUSVLPZNKQZKCI-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-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-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 62773806
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 63603789
1-(5-bromothiophen-2-yl)-1-(4-butan-2-ylpiperazin-1-yl)propan-2-amine
CID 62773231
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
1-(4-methylphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55153137
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
CID 63603967
1-(2,2-dimethylmorpholin-4-yl)-1-(4-methylphenyl)propan-2-amine
CID 55016329
1-butan-2-yl-4-(2,4-dimethylphenyl)piperazine
CID 173374498
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine (CID 62774582) is 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine is CCC(C)N1CCN(C(c2ccc(C)cc2)C(C)N)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is YUSVLPZNKQZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-15(3)20-10-12-21(13-11-20)18(16(4)19)17-8-6-14(2)7-9-17/h6-9,15-16,18H,5,10-13,19H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine?
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 62774582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).