3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine

C17H24N2S — CID 163990586

IUPAC3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine
SMILESCSC1C=CC=C(N2CCNC(C3=CCCC=C3)C2)C1
InChIInChI=1S/C17H24N2S/c1-20-16-9-5-8-15(12-16)19-11-10-18-17(13-19)14-6-3-2-4-7-14/h3,5-9,16-18H,2,4,10-13H2,1H3
InChIKeyUAHFNCYARWCVNP-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.11
Rot. Bonds3

About 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine

3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 163990586) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine
PubChem CID163990586
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine
SMILESCSC1C=CC=C(N2CCNC(C3=CCCC=C3)C2)C1
InChIInChI=1S/C17H24N2S/c1-20-16-9-5-8-15(12-16)19-11-10-18-17(13-19)14-6-3-2-4-7-14/h3,5-9,16-18H,2,4,10-13H2,1H3
InChIKeyUAHFNCYARWCVNP-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine with MolForge

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Related Compounds

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1-[2,3-dihydrothiophen-2-yl-[(4S)-4-ethylcyclohexa-1,5-dien-1-yl]methyl]piperazine;methane
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CID 142112945
1-[(3E,5E)-5-[(3E,5Z)-4-methylhepta-1,3,5-trien-3-yl]sulfanylhepta-1,3,5-trien-4-yl]piperazine;molecular hydrogen
CID 145606339
(3R)-N-(3-cyclohexa-1,5-dien-1-ylprop-1-en-2-yl)-2-methylidene-1-(2-methylprop-2-enyl)-4-methylsulfanylazetidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine (CID 163990586) is 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine is CSC1C=CC=C(N2CCNC(C3=CCCC=C3)C2)C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is UAHFNCYARWCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-20-16-9-5-8-15(12-16)19-11-10-18-17(13-19)14-6-3-2-4-7-14/h3,5-9,16-18H,2,4,10-13H2,1H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine?
3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 288.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 163990586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).