1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine

C15H26N2 — CID 143588276

IUPAC1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCC(C)CC1=CC(N2CCN(C)CC2)=CCC1
InChIInChI=1S/C15H26N2/c1-13(2)11-14-5-4-6-15(12-14)17-9-7-16(3)8-10-17/h6,12-13H,4-5,7-11H2,1-3H3
InChIKeyHWYAFXNEAXEJPM-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.88
Rot. Bonds3

About 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine

1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine (PubChem CID 143588276) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine
PubChem CID143588276
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCC(C)CC1=CC(N2CCN(C)CC2)=CCC1
InChIInChI=1S/C15H26N2/c1-13(2)11-14-5-4-6-15(12-14)17-9-7-16(3)8-10-17/h6,12-13H,4-5,7-11H2,1-3H3
InChIKeyHWYAFXNEAXEJPM-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine (CID 143588276) is 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine is CC(C)CC1=CC(N2CCN(C)CC2)=CCC1.
What is the InChIKey of 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine?
The InChIKey is HWYAFXNEAXEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)11-14-5-4-6-15(12-14)17-9-7-16(3)8-10-17/h6,12-13H,4-5,7-11H2,1-3H3.
What are the key properties of 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine?
1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine is sourced from PubChem (CID 143588276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).