5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine

C15H23NO — CID 104823476

IUPAC5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine
SMILESCOc1ccc(CC2CCC(C)NC2)c(C)c1
InChIInChI=1S/C15H23NO/c1-11-8-15(17-3)7-6-14(11)9-13-5-4-12(2)16-10-13/h6-8,12-13,16H,4-5,9-10H2,1-3H3
InChIKeyMWBPKYXIZBXLTP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.93
Rot. Bonds3

About 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine

5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine (PubChem CID 104823476) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine
PubChem CID104823476
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine
SMILESCOc1ccc(CC2CCC(C)NC2)c(C)c1
InChIInChI=1S/C15H23NO/c1-11-8-15(17-3)7-6-14(11)9-13-5-4-12(2)16-10-13/h6-8,12-13,16H,4-5,9-10H2,1-3H3
InChIKeyMWBPKYXIZBXLTP-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine?
The IUPAC name of 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine (CID 104823476) is 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine?
The canonical SMILES for 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine is COc1ccc(CC2CCC(C)NC2)c(C)c1.
What is the InChIKey of 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine?
The InChIKey is MWBPKYXIZBXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-15(17-3)7-6-14(11)9-13-5-4-12(2)16-10-13/h6-8,12-13,16H,4-5,9-10H2,1-3H3.
What are the key properties of 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine?
5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine has a molecular weight of 233.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 104823476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).