2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine

C16H28N4 — CID 83010931

IUPAC2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H28N4/c1-14(15-6-4-3-5-7-15)12-16(13-17)18-20-10-8-19(2)9-11-20/h3-7,14,16,18H,8-13,17H2,1-2H3
InChIKeyHPMRKOCAQZQBEH-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.26
Rot. Bonds6

About 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine

2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine (PubChem CID 83010931) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
PubChem CID83010931
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)NN1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H28N4/c1-14(15-6-4-3-5-7-15)12-16(13-17)18-20-10-8-19(2)9-11-20/h3-7,14,16,18H,8-13,17H2,1-2H3
InChIKeyHPMRKOCAQZQBEH-UHFFFAOYSA-N
XLogP1.26
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine 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

2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
CID 83011355
2-N-cyclopropyl-4-phenylpentane-1,2-diamine
CID 62070521
3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
CID 104711122
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
2-(1,3-dihydroisoindol-2-yl)-4-phenylpentan-1-amine
CID 62204461
2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
CID 115406341
2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
CID 113464327
4-methyl-N-[(2R)-1-phenylpropan-2-yl]piperazin-1-amine
CID 124600300
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
CID 65385753
4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine
CID 107876354

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine (CID 83010931) is 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine is CC(CC(CN)NN1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine?
The InChIKey is HPMRKOCAQZQBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-14(15-6-4-3-5-7-15)12-16(13-17)18-20-10-8-19(2)9-11-20/h3-7,14,16,18H,8-13,17H2,1-2H3.
What are the key properties of 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine?
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine is sourced from PubChem (CID 83010931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).