1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine

C12H22N2O — CID 135135364

IUPAC1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine
SMILESCOC(C1CC=CCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O/c1-15-12(11-5-3-2-4-6-11)14-9-7-13-8-10-14/h2-3,11-13H,4-10H2,1H3
InChIKeyAQDSHHYTQFVULU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.22
Rot. Bonds3

About 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine

1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine (PubChem CID 135135364) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine
PubChem CID135135364
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine
SMILESCOC(C1CC=CCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O/c1-15-12(11-5-3-2-4-6-11)14-9-7-13-8-10-14/h2-3,11-13H,4-10H2,1H3
InChIKeyAQDSHHYTQFVULU-UHFFFAOYSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-yl(methoxy)methyl]piperazine?
The IUPAC name of 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine (CID 135135364) is 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine.
What is the SMILES notation for 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine?
The canonical SMILES for 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine is COC(C1CC=CCC1)N1CCNCC1.
What is the InChIKey of 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine?
The InChIKey is AQDSHHYTQFVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-12(11-5-3-2-4-6-11)14-9-7-13-8-10-14/h2-3,11-13H,4-10H2,1H3.
What are the key properties of 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine?
1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine has a molecular weight of 210.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohex-3-en-1-yl(methoxy)methyl]piperazine is sourced from PubChem (CID 135135364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).