1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine

C13H24N2 — CID 82077738

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
SMILESCC1CNCCN1CCC1=CCCCC1
InChIInChI=1S/C13H24N2/c1-12-11-14-8-10-15(12)9-7-13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3
InChIKeyPCUPTJSSHHVVGA-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine

1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine (PubChem CID 82077738) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
PubChem CID82077738
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine
SMILESCC1CNCCN1CCC1=CCCCC1
InChIInChI=1S/C13H24N2/c1-12-11-14-8-10-15(12)9-7-13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3
InChIKeyPCUPTJSSHHVVGA-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
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-(cyclopenten-1-yl)ethyl]-2-methylpiperazine
CID 106172733
1-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpiperazine
CID 106172747
1-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylpiperazine
CID 106172766
1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 114153752
4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107489783
(2S)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82713118
(2R)-2-methyl-1-(2-pyridin-4-ylethyl)piperazine
CID 82714157
1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 114153759
1-[2-(cyclopenten-1-yl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 106172504
5-[2-(2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408735
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
CID 82287017

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine (CID 82077738) is 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine is CC1CNCCN1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine?
The InChIKey is PCUPTJSSHHVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12-11-14-8-10-15(12)9-7-13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine?
1-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 2.17, 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]-2-methylpiperazine is sourced from PubChem (CID 82077738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).