1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine

C17H29N3 — CID 62835780

IUPAC1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine
SMILESCCNC(C)(C)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-4-18-17(2,3)15-20-12-10-19(11-13-20)14-16-8-6-5-7-9-16/h5-9,18H,4,10-15H2,1-3H3
InChIKeyLVFWQENJJJLJKH-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.19
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine

1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine (PubChem CID 62835780) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine
PubChem CID62835780
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine
SMILESCCNC(C)(C)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H29N3/c1-4-18-17(2,3)15-20-12-10-19(11-13-20)14-16-8-6-5-7-9-16/h5-9,18H,4,10-15H2,1-3H3
InChIKeyLVFWQENJJJLJKH-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-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

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-benzyl-N-ethylpiperazin-1-amine
CID 67164318
1-benzyl-4-tert-butylpiperazine
CID 3591937
1-benzylpyrrolidine;propane
CID 143692089
4-(4-benzylpiperazin-1-yl)-N-ethylaniline
CID 19911465
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-(4-benzylpiperazin-1-yl)-3-ethylpentan-3-amine
CID 18430970
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzyl-4-[2-(4-chlorophenoxy)-2-methylpentyl]piperazine
CID 21472244
1-benzyl-4-heptylpiperazine
CID 22088087

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine (CID 62835780) is 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine is CCNC(C)(C)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine?
The InChIKey is LVFWQENJJJLJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-18-17(2,3)15-20-12-10-19(11-13-20)14-16-8-6-5-7-9-16/h5-9,18H,4,10-15H2,1-3H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine?
1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine is sourced from PubChem (CID 62835780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).