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

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43135337
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
4-[4-(4-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453832
2-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dimethylbutan-1-amine
CID 61351960
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol
CID 62271457
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine
CID 61386697
1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
CID 70151216
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
N-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 23228004
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286

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).