2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine

C18H36N2 — CID 82936177

IUPAC2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)(CC)CN1C1CCCCCC1
InChIInChI=1S/C18H36N2/c1-5-15(3)17-13-19-18(4,6-2)14-20(17)16-11-9-7-8-10-12-16/h15-17,19H,5-14H2,1-4H3
InChIKeyVHTWSYLBUSDTLR-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds4

About 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine

2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine (PubChem CID 82936177) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
PubChem CID82936177
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine
SMILESCCC(C)C1CNC(C)(CC)CN1C1CCCCCC1
InChIInChI=1S/C18H36N2/c1-5-15(3)17-13-19-18(4,6-2)14-20(17)16-11-9-7-8-10-12-16/h15-17,19H,5-14H2,1-4H3
InChIKeyVHTWSYLBUSDTLR-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
2-butan-2-yl-5-ethyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64847164
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 114551182
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
2-butan-2-yl-1-cyclohexyl-5-ethylpiperazine
CID 82937197
1-cyclopentyl-5-ethyl-5-methyl-2-phenylpiperazine
CID 64932022
2-butan-2-yl-5-ethyl-5-methyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64847544
1-(2,3-dimethylcyclohexyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64932045
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine?
The IUPAC name of 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine (CID 82936177) is 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine is CCC(C)C1CNC(C)(CC)CN1C1CCCCCC1.
What is the InChIKey of 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine?
The InChIKey is VHTWSYLBUSDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-15(3)17-13-19-18(4,6-2)14-20(17)16-11-9-7-8-10-12-16/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine?
2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-cycloheptyl-5-ethyl-5-methylpiperazine is sourced from PubChem (CID 82936177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).