1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine

C13H24N2O — CID 90845680

IUPAC1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine
SMILESC=C1CCC(OC)C(N2CCN(C)CC2)C1
InChIInChI=1S/C13H24N2O/c1-11-4-5-13(16-3)12(10-11)15-8-6-14(2)7-9-15/h12-13H,1,4-10H2,2-3H3
InChIKeyRPERCBSFEQDIAS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.36
Rot. Bonds2

About 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine

1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine (PubChem CID 90845680) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine
PubChem CID90845680
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine
SMILESC=C1CCC(OC)C(N2CCN(C)CC2)C1
InChIInChI=1S/C13H24N2O/c1-11-4-5-13(16-3)12(10-11)15-8-6-14(2)7-9-15/h12-13H,1,4-10H2,2-3H3
InChIKeyRPERCBSFEQDIAS-UHFFFAOYSA-N
XLogP1.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
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-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine?
The IUPAC name of 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine (CID 90845680) is 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine is C=C1CCC(OC)C(N2CCN(C)CC2)C1.
What is the InChIKey of 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine?
The InChIKey is RPERCBSFEQDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11-4-5-13(16-3)12(10-11)15-8-6-14(2)7-9-15/h12-13H,1,4-10H2,2-3H3.
What are the key properties of 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine?
1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine has a molecular weight of 224.35 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylidenecyclohexyl)-4-methylpiperazine is sourced from PubChem (CID 90845680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).