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

C12H22N2 — CID 64952148

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine
SMILESCC1CN(CC2CC=CCC2)CCN1
InChIInChI=1S/C12H22N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-3,11-13H,4-10H2,1H3
InChIKeyXRTAFAFYZMWHLX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds2

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

1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine (PubChem CID 64952148) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine
PubChem CID64952148
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine
SMILESCC1CN(CC2CC=CCC2)CCN1
InChIInChI=1S/C12H22N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-3,11-13H,4-10H2,1H3
InChIKeyXRTAFAFYZMWHLX-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
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)-3-methylpiperazine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine (CID 64952148) is 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine is CC1CN(CC2CC=CCC2)CCN1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine?
The InChIKey is XRTAFAFYZMWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-3,11-13H,4-10H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine?
1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-methylpiperazine is sourced from PubChem (CID 64952148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).