4-benzyl-N-ethylpiperazin-1-amine

C13H21N3 — CID 67164318

IUPAC4-benzyl-N-ethylpiperazin-1-amine
SMILESCCNN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H21N3/c1-2-14-16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyMGWYVSQCFIARSN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.33
Rot. Bonds4

About 4-benzyl-N-ethylpiperazin-1-amine

4-benzyl-N-ethylpiperazin-1-amine (PubChem CID 67164318) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-benzyl-N-ethylpiperazin-1-amine.

Molecular Properties

Compound Name4-benzyl-N-ethylpiperazin-1-amine
PubChem CID67164318
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-benzyl-N-ethylpiperazin-1-amine
SMILESCCNN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H21N3/c1-2-14-16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyMGWYVSQCFIARSN-UHFFFAOYSA-N
XLogP1.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-N-ethylpiperazin-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

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzylpyrrolidine;propane
CID 143692089
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-tert-butylpiperazine
CID 3591937
1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835780
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-butylpiperazine;ethane
CID 90954358
4-(4-benzylpiperazin-1-yl)-N-ethylaniline
CID 19911465
1-benzyl-4-heptylpiperazine
CID 22088087
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethylpiperazin-1-amine?
The IUPAC name of 4-benzyl-N-ethylpiperazin-1-amine (CID 67164318) is 4-benzyl-N-ethylpiperazin-1-amine.
What is the SMILES notation for 4-benzyl-N-ethylpiperazin-1-amine?
The canonical SMILES for 4-benzyl-N-ethylpiperazin-1-amine is CCNN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-ethylpiperazin-1-amine?
The InChIKey is MGWYVSQCFIARSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-14-16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of 4-benzyl-N-ethylpiperazin-1-amine?
4-benzyl-N-ethylpiperazin-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethylpiperazin-1-amine is sourced from PubChem (CID 67164318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).