5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine

C16H32N2 — CID 64954483

IUPAC5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
SMILESCCC(C)C1CN(C2CCCCC2)C(CC)CN1
InChIInChI=1S/C16H32N2/c1-4-13(3)16-12-18(14(5-2)11-17-16)15-9-7-6-8-10-15/h13-17H,4-12H2,1-3H3
InChIKeyGQTOCULIOIPIBT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

About 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine

5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine (PubChem CID 64954483) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
PubChem CID64954483
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
SMILESCCC(C)C1CN(C2CCCCC2)C(CC)CN1
InChIInChI=1S/C16H32N2/c1-4-13(3)16-12-18(14(5-2)11-17-16)15-9-7-6-8-10-15/h13-17H,4-12H2,1-3H3
InChIKeyGQTOCULIOIPIBT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
1-cyclooctyl-2-ethyl-5-(2-methylpropyl)piperazine
CID 64931371
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
1-cyclohexyl-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 79014864
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
2-butan-2-yl-1-cyclohexyl-5-ethylpiperazine
CID 82937197
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64938534
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
CID 114174365
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
CID 64847673
5-butan-2-yl-1-cyclohexyl-2,2-dimethylpiperazine
CID 82936355

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine (CID 64954483) is 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine is CCC(C)C1CN(C2CCCCC2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine?
The InChIKey is GQTOCULIOIPIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-13(3)16-12-18(14(5-2)11-17-16)15-9-7-6-8-10-15/h13-17H,4-12H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine?
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 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-cyclohexyl-2-ethylpiperazine is sourced from PubChem (CID 64954483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).