2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine

C16H27N3 — CID 24693500

IUPAC2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
SMILESCCC(CC)(CN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-16(4-2,14-17)19-12-10-18(11-13-19)15-8-6-5-7-9-15/h5-9H,3-4,10-14,17H2,1-2H3
InChIKeyNZEDZLPSYXUQCX-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.33
Rot. Bonds5

About 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine

2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine (PubChem CID 24693500) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
PubChem CID24693500
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
SMILESCCC(CC)(CN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-16(4-2,14-17)19-12-10-18(11-13-19)15-8-6-5-7-9-15/h5-9H,3-4,10-14,17H2,1-2H3
InChIKeyNZEDZLPSYXUQCX-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-(4-phenylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine (CID 24693500) is 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine is CCC(CC)(CN)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
The InChIKey is NZEDZLPSYXUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-16(4-2,14-17)19-12-10-18(11-13-19)15-8-6-5-7-9-15/h5-9H,3-4,10-14,17H2,1-2H3.
What are the key properties of 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 24693500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).