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

C14H21NO — CID 84735199

IUPAC4-methoxy-3-[(4-methylphenyl)methyl]piperidine
SMILESCOC1CCNCC1Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-10-15-8-7-14(13)16-2/h3-6,13-15H,7-10H2,1-2H3
InChIKeyRNLHWIWROBMZDV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds3

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

4-methoxy-3-[(4-methylphenyl)methyl]piperidine (PubChem CID 84735199) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylphenyl)methyl]piperidine
PubChem CID84735199
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-methoxy-3-[(4-methylphenyl)methyl]piperidine
SMILESCOC1CCNCC1Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-10-15-8-7-14(13)16-2/h3-6,13-15H,7-10H2,1-2H3
InChIKeyRNLHWIWROBMZDV-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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Related Compounds

3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196
4-methoxy-3-[(2-methylphenyl)methyl]piperidine
CID 84735198
3-[(3-chlorophenyl)methyl]-4-methoxypiperidine
CID 84736905
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 127021374
3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine
CID 84734360
(3R,4S)-3-benzyl-4-methoxypyrrolidine
CID 59265809
(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride
CID 171688493
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
3-(cyclobutylmethyl)-4-methoxypiperidine
CID 84732567
3-methoxypiperidin-4-ol;toluene
CID 143401934
3-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-ol
CID 114451747
4-[(4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 84684805

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-methoxy-3-[(4-methylphenyl)methyl]piperidine (CID 84735199) is 4-methoxy-3-[(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-methoxy-3-[(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-methoxy-3-[(4-methylphenyl)methyl]piperidine is COC1CCNCC1Cc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(4-methylphenyl)methyl]piperidine?
The InChIKey is RNLHWIWROBMZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-3-5-12(6-4-11)9-13-10-15-8-7-14(13)16-2/h3-6,13-15H,7-10H2,1-2H3.
What are the key properties of 4-methoxy-3-[(4-methylphenyl)methyl]piperidine?
4-methoxy-3-[(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 4-methoxy-3-[(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84735199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).