1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine

C14H22N2 — CID 143003416

IUPAC1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
SMILESCC1=CC(C)C=CC=C1N1CCN(C)CC1
InChIInChI=1S/C14H22N2/c1-12-5-4-6-14(13(2)11-12)16-9-7-15(3)8-10-16/h4-6,11-12H,7-10H2,1-3H3
InChIKeyHAUJKPYUAQJTBF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.27
Rot. Bonds1

About 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine

1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine (PubChem CID 143003416) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
PubChem CID143003416
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
SMILESCC1=CC(C)C=CC=C1N1CCN(C)CC1
InChIInChI=1S/C14H22N2/c1-12-5-4-6-14(13(2)11-12)16-9-7-15(3)8-10-16/h4-6,11-12H,7-10H2,1-3H3
InChIKeyHAUJKPYUAQJTBF-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine (CID 143003416) is 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine is CC1=CC(C)C=CC=C1N1CCN(C)CC1.
What is the InChIKey of 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
The InChIKey is HAUJKPYUAQJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-5-4-6-14(13(2)11-12)16-9-7-15(3)8-10-16/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine?
1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethylcyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 143003416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).