5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine

C16H32N2 — CID 79878573

IUPAC5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
SMILESCCC(C)C1CN(C2CCCC2(C)C)C(C)CN1
InChIInChI=1S/C16H32N2/c1-6-12(2)14-11-18(13(3)10-17-14)15-8-7-9-16(15,4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyWZAHFUPZEYQQKP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine

5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine (PubChem CID 79878573) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
PubChem CID79878573
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
SMILESCCC(C)C1CN(C2CCCC2(C)C)C(C)CN1
InChIInChI=1S/C16H32N2/c1-6-12(2)14-11-18(13(3)10-17-14)15-8-7-9-16(15,4)5/h12-15,17H,6-11H2,1-5H3
InChIKeyWZAHFUPZEYQQKP-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine 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

5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64937377
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
1-(2,2-dimethylcyclopropyl)-2-methyl-5-propan-2-ylpiperazine
CID 64939302
(2S)-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 130678144
5-butan-2-yl-2-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine
CID 114158815
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
1-(2,2-dimethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 79870057
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine (CID 79878573) is 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine is CCC(C)C1CN(C2CCCC2(C)C)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine?
The InChIKey is WZAHFUPZEYQQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-12(2)14-11-18(13(3)10-17-14)15-8-7-9-16(15,4)5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine?
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine is sourced from PubChem (CID 79878573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).