2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine

C16H27N3 — CID 115415177

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CC2CN(C)CCN2C)cc1
InChIInChI=1S/C16H27N3/c1-4-13-5-7-14(8-6-13)16(17)11-15-12-18(2)9-10-19(15)3/h5-8,15-16H,4,9-12,17H2,1-3H3
InChIKeyOUDRYXXJDXTZED-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.88
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine

2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine (PubChem CID 115415177) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
PubChem CID115415177
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CC2CN(C)CCN2C)cc1
InChIInChI=1S/C16H27N3/c1-4-13-5-7-14(8-6-13)16(17)11-15-12-18(2)9-10-19(15)3/h5-8,15-16H,4,9-12,17H2,1-3H3
InChIKeyOUDRYXXJDXTZED-UHFFFAOYSA-N
XLogP1.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine 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-cyclobutylphenyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 116506406
1-(1,4-dimethylpiperazin-2-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
CID 115414992
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
CID 115415033
2-(1,4-dimethylpiperazin-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113305498
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-ethylphenyl)propan-1-amine
CID 63609680
[2-(1,4-dimethylpiperazin-2-yl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105260295
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 106654174
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine (CID 115415177) is 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)CC2CN(C)CCN2C)cc1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is OUDRYXXJDXTZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13-5-7-14(8-6-13)16(17)11-15-12-18(2)9-10-19(15)3/h5-8,15-16H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine?
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 115415177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).