5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine

C19H37NO — CID 123171752

IUPAC5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine
SMILESCOC1CCC(C)C(C2CN(C)C(CC(C)C)CC2C)C1
InChIInChI=1S/C19H37NO/c1-13(2)9-16-10-15(4)19(12-20(16)5)18-11-17(21-6)8-7-14(18)3/h13-19H,7-12H2,1-6H3
InChIKeyDWHAGQMYBPJUNU-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.44
Rot. Bonds4

About 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine

5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine (PubChem CID 123171752) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine
PubChem CID123171752
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine
SMILESCOC1CCC(C)C(C2CN(C)C(CC(C)C)CC2C)C1
InChIInChI=1S/C19H37NO/c1-13(2)9-16-10-15(4)19(12-20(16)5)18-11-17(21-6)8-7-14(18)3/h13-19H,7-12H2,1-6H3
InChIKeyDWHAGQMYBPJUNU-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine?
The IUPAC name of 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine (CID 123171752) is 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine.
What is the SMILES notation for 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine?
The canonical SMILES for 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine is COC1CCC(C)C(C2CN(C)C(CC(C)C)CC2C)C1.
What is the InChIKey of 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine?
The InChIKey is DWHAGQMYBPJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-13(2)9-16-10-15(4)19(12-20(16)5)18-11-17(21-6)8-7-14(18)3/h13-19H,7-12H2,1-6H3.
What are the key properties of 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine?
5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine has a molecular weight of 295.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-methylcyclohexyl)-1,4-dimethyl-2-(2-methylpropyl)piperidine is sourced from PubChem (CID 123171752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).