2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine

C14H21NO2 — CID 117343126

IUPAC2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
SMILESCOCc1ccc(OC)cc1C1CCCCN1
InChIInChI=1S/C14H21NO2/c1-16-10-11-6-7-12(17-2)9-13(11)14-5-3-4-8-15-14/h6-7,9,14-15H,3-5,8,10H2,1-2H3
InChIKeyCAGQLSLWRAFIJO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine

2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine (PubChem CID 117343126) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
PubChem CID117343126
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
SMILESCOCc1ccc(OC)cc1C1CCCCN1
InChIInChI=1S/C14H21NO2/c1-16-10-11-6-7-12(17-2)9-13(11)14-5-3-4-8-15-14/h6-7,9,14-15H,3-5,8,10H2,1-2H3
InChIKeyCAGQLSLWRAFIJO-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
CID 117381690
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine (CID 117343126) is 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine is COCc1ccc(OC)cc1C1CCCCN1.
What is the InChIKey of 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine?
The InChIKey is CAGQLSLWRAFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-11-6-7-12(17-2)9-13(11)14-5-3-4-8-15-14/h6-7,9,14-15H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine?
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117343126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).