3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine

C13H22N2 — CID 123199460

IUPAC3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine
SMILESCC1CC=CC(N2CCNC(C)C2)=CC1
InChIInChI=1S/C13H22N2/c1-11-4-3-5-13(7-6-11)15-9-8-14-12(2)10-15/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3
InChIKeyDFONZIHCYYBIPA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.15
Rot. Bonds1

About 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine

3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine (PubChem CID 123199460) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine
PubChem CID123199460
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine
SMILESCC1CC=CC(N2CCNC(C)C2)=CC1
InChIInChI=1S/C13H22N2/c1-11-4-3-5-13(7-6-11)15-9-8-14-12(2)10-15/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3
InChIKeyDFONZIHCYYBIPA-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 146265962
1-(4-Fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
CID 154541137
Hexahydroazepinopyridine
CID 129795896
1-Methyl-2,3,4,9a-tetrahydro-1,4-benzodiazepin-8-amine
CID 67264034
3,3-dimethyl-1-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]piperazine
CID 68343985
1-(1-Ethylcyclohexa-2,4-dien-1-yl)piperazine
CID 69199631
2,3,4,6,6a,7-hexahydro-1H-pyrazino[1,2-b]isoquinoline
CID 69381566
4-[1-(4-Aminopent-3-en-2-yl)piperazin-2-yl]pent-2-en-2-amine
CID 69790991
(1R)-N-but-1-en-2-yl-1-[1-(dimethylamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 70560929
1-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]piperazine
CID 88910974
3-methylidene-1-[(2E,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]piperazine
CID 89049774
5-Methyl-4-piperazin-1-ylcyclohexa-1,3-dien-1-amine
CID 89074158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine?
The IUPAC name of 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine (CID 123199460) is 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine.
What is the SMILES notation for 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine?
The canonical SMILES for 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine is CC1CC=CC(N2CCNC(C)C2)=CC1.
What is the InChIKey of 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine?
The InChIKey is DFONZIHCYYBIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-4-3-5-13(7-6-11)15-9-8-14-12(2)10-15/h3,5,7,11-12,14H,4,6,8-10H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine?
3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine has a molecular weight of 206.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine is sourced from PubChem (CID 123199460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).