4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine

C15H25NO — CID 126490204

IUPAC4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine
SMILESCOC1=CC(C2CCN(C)CC2)C(C)C=C1C
InChIInChI=1S/C15H25NO/c1-11-9-12(2)15(17-4)10-14(11)13-5-7-16(3)8-6-13/h9-11,13-14H,5-8H2,1-4H3
InChIKeyXPQSRIWCLBFODH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.07
Rot. Bonds2

About 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine

4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine (PubChem CID 126490204) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine
PubChem CID126490204
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine
SMILESCOC1=CC(C2CCN(C)CC2)C(C)C=C1C
InChIInChI=1S/C15H25NO/c1-11-9-12(2)15(17-4)10-14(11)13-5-7-16(3)8-6-13/h9-11,13-14H,5-8H2,1-4H3
InChIKeyXPQSRIWCLBFODH-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
The IUPAC name of 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine (CID 126490204) is 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
The canonical SMILES for 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine is COC1=CC(C2CCN(C)CC2)C(C)C=C1C.
What is the InChIKey of 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
The InChIKey is XPQSRIWCLBFODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-9-12(2)15(17-4)10-14(11)13-5-7-16(3)8-6-13/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine?
4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine has a molecular weight of 235.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine is sourced from PubChem (CID 126490204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).