1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine

C16H26N2 — CID 141053416

IUPAC1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine
SMILESC1=CC(N2CCN(C3CCCCC3)CC2)=CCC1
InChIInChI=1S/C16H26N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h3,7-8,16H,1-2,4-6,9-14H2
InChIKeyFWVSXJAYLHIPNT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.17
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine

1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine (PubChem CID 141053416) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine
PubChem CID141053416
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine
SMILESC1=CC(N2CCN(C3CCCCC3)CC2)=CCC1
InChIInChI=1S/C16H26N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h3,7-8,16H,1-2,4-6,9-14H2
InChIKeyFWVSXJAYLHIPNT-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine (CID 141053416) is 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine is C1=CC(N2CCN(C3CCCCC3)CC2)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine?
The InChIKey is FWVSXJAYLHIPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h3,7-8,16H,1-2,4-6,9-14H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine?
1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine is sourced from PubChem (CID 141053416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).