5-butan-2-yl-2-cyclohexyl-1-methylpiperazine

C15H30N2 — CID 64847673

IUPAC5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
SMILESCCC(C)C1CN(C)C(C2CCCCC2)CN1
InChIInChI=1S/C15H30N2/c1-4-12(2)14-11-17(3)15(10-16-14)13-8-6-5-7-9-13/h12-16H,4-11H2,1-3H3
InChIKeyVFFOWCCGMLPDFU-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds3

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

5-butan-2-yl-2-cyclohexyl-1-methylpiperazine (PubChem CID 64847673) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
PubChem CID64847673
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5-butan-2-yl-2-cyclohexyl-1-methylpiperazine
SMILESCCC(C)C1CN(C)C(C2CCCCC2)CN1
InChIInChI=1S/C15H30N2/c1-4-12(2)14-11-17(3)15(10-16-14)13-8-6-5-7-9-13/h12-16H,4-11H2,1-3H3
InChIKeyVFFOWCCGMLPDFU-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-methyl-5-propan-2-ylpiperazine
CID 64840220
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414273
2-cyclohexyl-1-(2-ethylbutyl)-5-propan-2-ylpiperazine
CID 82926369
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
5-butan-2-yl-1-cyclohexyl-2-ethylpiperazine
CID 64954483
5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64847473
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64938534
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-butan-2-yl-2-cyclopropylpiperazine
CID 79559224

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine?
The IUPAC name of 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine (CID 64847673) is 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine is CCC(C)C1CN(C)C(C2CCCCC2)CN1.
What is the InChIKey of 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine?
The InChIKey is VFFOWCCGMLPDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-12(2)14-11-17(3)15(10-16-14)13-8-6-5-7-9-13/h12-16H,4-11H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-cyclohexyl-1-methylpiperazine?
5-butan-2-yl-2-cyclohexyl-1-methylpiperazine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 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-cyclohexyl-1-methylpiperazine is sourced from PubChem (CID 64847673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).