3-methoxy-4-[(4-methylphenyl)methyl]piperidine

C14H21NO — CID 84735196

IUPAC3-methoxy-4-[(4-methylphenyl)methyl]piperidine
SMILESCOC1CNCCC1Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-7-8-15-10-14(13)16-2/h3-6,13-15H,7-10H2,1-2H3
InChIKeyMMIRAPBNZVCWME-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds3

About 3-methoxy-4-[(4-methylphenyl)methyl]piperidine

3-methoxy-4-[(4-methylphenyl)methyl]piperidine (PubChem CID 84735196) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-methoxy-4-[(4-methylphenyl)methyl]piperidine
PubChem CID84735196
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methoxy-4-[(4-methylphenyl)methyl]piperidine
SMILESCOC1CNCCC1Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-7-8-15-10-14(13)16-2/h3-6,13-15H,7-10H2,1-2H3
InChIKeyMMIRAPBNZVCWME-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 3-methoxy-4-[(4-methylphenyl)methyl]piperidine (CID 84735196) is 3-methoxy-4-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-methoxy-4-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-methoxy-4-[(4-methylphenyl)methyl]piperidine is COC1CNCCC1Cc1ccc(C)cc1.
What is the InChIKey of 3-methoxy-4-[(4-methylphenyl)methyl]piperidine?
The InChIKey is MMIRAPBNZVCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-7-8-15-10-14(13)16-2/h3-6,13-15H,7-10H2,1-2H3.
What are the key properties of 3-methoxy-4-[(4-methylphenyl)methyl]piperidine?
3-methoxy-4-[(4-methylphenyl)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84735196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).