3-cyclohexyl-1-(5-methylhexyl)piperazine

C17H34N2 — CID 115327049

IUPAC3-cyclohexyl-1-(5-methylhexyl)piperazine
SMILESCC(C)CCCCN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C17H34N2/c1-15(2)8-6-7-12-19-13-11-18-17(14-19)16-9-4-3-5-10-16/h15-18H,3-14H2,1-2H3
InChIKeyFPJUOPYRFJBLLV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About 3-cyclohexyl-1-(5-methylhexyl)piperazine

3-cyclohexyl-1-(5-methylhexyl)piperazine (PubChem CID 115327049) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5-methylhexyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(5-methylhexyl)piperazine
PubChem CID115327049
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-cyclohexyl-1-(5-methylhexyl)piperazine
SMILESCC(C)CCCCN1CCNC(C2CCCCC2)C1
InChIInChI=1S/C17H34N2/c1-15(2)8-6-7-12-19-13-11-18-17(14-19)16-9-4-3-5-10-16/h15-18H,3-14H2,1-2H3
InChIKeyFPJUOPYRFJBLLV-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64834609
3-cyclohexyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64872103
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
CID 64833283
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
3-cyclopropyl-1-octylpiperazine
CID 64833415
1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-(2-cyclohexyloxyethyl)-3-cyclopropylpiperazine
CID 64953422
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
3-cyclohexyl-7-methyl-1-(4-methylpentyl)-1,4-diazepane
CID 83168863
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
3-methyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327095

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5-methylhexyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(5-methylhexyl)piperazine (CID 115327049) is 3-cyclohexyl-1-(5-methylhexyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(5-methylhexyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(5-methylhexyl)piperazine is CC(C)CCCCN1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(5-methylhexyl)piperazine?
The InChIKey is FPJUOPYRFJBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)8-6-7-12-19-13-11-18-17(14-19)16-9-4-3-5-10-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(5-methylhexyl)piperazine?
3-cyclohexyl-1-(5-methylhexyl)piperazine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5-methylhexyl)piperazine is sourced from PubChem (CID 115327049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).