5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine

C16H34N2 — CID 64938498

IUPAC5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
SMILESCCCCCC(C)N1CC(C(C)CC)NCC1C
InChIInChI=1S/C16H34N2/c1-6-8-9-10-14(4)18-12-16(13(3)7-2)17-11-15(18)5/h13-17H,6-12H2,1-5H3
InChIKeyPUIPJTODOGBLPD-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds7

About 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine

5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine (PubChem CID 64938498) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
PubChem CID64938498
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
SMILESCCCCCC(C)N1CC(C(C)CC)NCC1C
InChIInChI=1S/C16H34N2/c1-6-8-9-10-14(4)18-12-16(13(3)7-2)17-11-15(18)5/h13-17H,6-12H2,1-5H3
InChIKeyPUIPJTODOGBLPD-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-butan-2-yl-1-heptan-2-yl-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-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432
1-heptan-2-yl-2-methyl-5-phenylpiperazine
CID 64935927
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-2-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64936919
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine (CID 64938498) is 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine is CCCCCC(C)N1CC(C(C)CC)NCC1C.
What is the InChIKey of 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine?
The InChIKey is PUIPJTODOGBLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-9-10-14(4)18-12-16(13(3)7-2)17-11-15(18)5/h13-17H,6-12H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine?
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 7 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-heptan-2-yl-2-methylpiperazine is sourced from PubChem (CID 64938498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).