4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine

C14H21NO2 — CID 117343039

IUPAC4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
SMILESCOCc1ccc(C2CCNCC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-16-10-13-4-3-12(9-14(13)17-2)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeyWACWGJVTMQSKLZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds4

About 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine

4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine (PubChem CID 117343039) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
PubChem CID117343039
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
SMILESCOCc1ccc(C2CCNCC2)cc1OC
InChIInChI=1S/C14H21NO2/c1-16-10-13-4-3-12(9-14(13)17-2)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8,10H2,1-2H3
InChIKeyWACWGJVTMQSKLZ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117345445
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4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
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(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
4-[3-[(2-methoxyphenoxy)methyl]phenyl]piperidine
CID 91230339
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
CID 58134240
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine (CID 117343039) is 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine is COCc1ccc(C2CCNCC2)cc1OC.
What is the InChIKey of 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine?
The InChIKey is WACWGJVTMQSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-13-4-3-12(9-14(13)17-2)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8,10H2,1-2H3.
What are the key properties of 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine?
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117343039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).