1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine

C14H26N2 — CID 82287017

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
SMILESCC1CN(CCC2=CCCCC2)CC(C)N1
InChIInChI=1S/C14H26N2/c1-12-10-16(11-13(2)15-12)9-8-14-6-4-3-5-7-14/h6,12-13,15H,3-5,7-11H2,1-2H3
InChIKeyMSFIXMBHQARHPL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.56
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine

1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine (PubChem CID 82287017) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
PubChem CID82287017
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
SMILESCC1CN(CCC2=CCCCC2)CC(C)N1
InChIInChI=1S/C14H26N2/c1-12-10-16(11-13(2)15-12)9-8-14-6-4-3-5-7-14/h6,12-13,15H,3-5,7-11H2,1-2H3
InChIKeyMSFIXMBHQARHPL-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-4-ethylsulfonylpiperazine
CID 113073175
1-[2-(cyclohexen-1-yl)ethyl]pyrrolidine;trifluoroborane
CID 10944742
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
CID 82077738
1-[2-(cyclopenten-1-yl)ethyl]-N-methylpyrrolidin-3-amine
CID 106172458
2-[2-(cyclohexen-1-yl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107854223
1-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxylic acid
CID 82476753
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]acetic acid
CID 82119731
2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122805
8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107853817
3-[1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 167968169
N-(cyclohexen-1-yl)-N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63874630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine (CID 82287017) is 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine is CC1CN(CCC2=CCCCC2)CC(C)N1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine?
The InChIKey is MSFIXMBHQARHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12-10-16(11-13(2)15-12)9-8-14-6-4-3-5-7-14/h6,12-13,15H,3-5,7-11H2,1-2H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine?
1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 82287017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).