1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine

C12H22N2 — CID 2845938

IUPAC1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C12H22N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-3,12H,4-11H2,1H3
InChIKeyMNSXGGSJCICUSF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.59
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine

1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine (PubChem CID 2845938) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine
PubChem CID2845938
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C12H22N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-3,12H,4-11H2,1H3
InChIKeyMNSXGGSJCICUSF-UHFFFAOYSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine (CID 2845938) is 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine is CN1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine?
The InChIKey is MNSXGGSJCICUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-3,12H,4-11H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine?
1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazine is sourced from PubChem (CID 2845938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).