5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine

C16H32N2 — CID 64954699

IUPAC5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
SMILESCCC(C)C1CN(C2CCC(C)CC2)C(C)CN1
InChIInChI=1S/C16H32N2/c1-5-13(3)16-11-18(14(4)10-17-16)15-8-6-12(2)7-9-15/h12-17H,5-11H2,1-4H3
InChIKeyYCMZFRVXXPYEKN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine

5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine (PubChem CID 64954699) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
PubChem CID64954699
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
SMILESCCC(C)C1CN(C2CCC(C)CC2)C(C)CN1
InChIInChI=1S/C16H32N2/c1-5-13(3)16-11-18(14(4)10-17-16)15-8-6-12(2)7-9-15/h12-17H,5-11H2,1-4H3
InChIKeyYCMZFRVXXPYEKN-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

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Related Compounds

5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 79878573
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64937377
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-2-methyl-1-[(3-methylcyclopentyl)methyl]piperazine
CID 107415555
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
5-butan-2-yl-1-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64937815
5-butan-2-yl-1-heptan-2-yl-2-methylpiperazine
CID 64938498

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine (CID 64954699) is 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine is CCC(C)C1CN(C2CCC(C)CC2)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine?
The InChIKey is YCMZFRVXXPYEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-13(3)16-11-18(14(4)10-17-16)15-8-6-12(2)7-9-15/h12-17H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine?
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine 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-2-methyl-1-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 64954699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).