2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine

C17H28ClN3 — CID 62262890

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H28ClN3/c1-3-8-17(2,13-19)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16/h4-7H,3,8-14,19H2,1-2H3
InChIKeyGZWAHLNPDRHYSL-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.23
Rot. Bonds6

About 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine (PubChem CID 62262890) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine
PubChem CID62262890
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H28ClN3/c1-3-8-17(2,13-19)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16/h4-7H,3,8-14,19H2,1-2H3
InChIKeyGZWAHLNPDRHYSL-UHFFFAOYSA-N
XLogP3.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-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-(3-Chlorophenyl)piperazine
CID 1355
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
2-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]ethanamine
CID 3237236
1-(3-Chlorophenyl)-4-octylpiperazine
CID 14960355
1-(4-Chloro-phenyl)-4-(3-phenyl-propyl)-piperazine
CID 3299322

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine (CID 62262890) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine is CCCC(C)(CN)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine?
The InChIKey is GZWAHLNPDRHYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-3-8-17(2,13-19)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16/h4-7H,3,8-14,19H2,1-2H3.
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 62262890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).