4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine

C14H18F3NO2 — CID 102954321

IUPAC4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
SMILESCC1CCNCC1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-10-6-7-18-8-13(10)19-9-11-2-4-12(5-3-11)20-14(15,16)17/h2-5,10,13,18H,6-9H2,1H3
InChIKeyNAAYGKFYVYXKTM-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.10
Rot. Bonds4

About 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine

4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine (PubChem CID 102954321) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
PubChem CID102954321
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
SMILESCC1CCNCC1OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-10-6-7-18-8-13(10)19-9-11-2-4-12(5-3-11)20-14(15,16)17/h2-5,10,13,18H,6-9H2,1H3
InChIKeyNAAYGKFYVYXKTM-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-phenylmethoxypiperidine
CID 102954119
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601
4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 18793416
3-methyl-5-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954306
3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
CID 106264583
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
tert-butyl 2-hydroxy-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine-1-carboxylate
CID 140989489
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
3-[(4-methylpiperidin-3-yl)oxymethyl]-1,2,5-thiadiazole
CID 130942600

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The IUPAC name of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine (CID 102954321) is 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The canonical SMILES for 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine is CC1CCNCC1OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The InChIKey is NAAYGKFYVYXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10-6-7-18-8-13(10)19-9-11-2-4-12(5-3-11)20-14(15,16)17/h2-5,10,13,18H,6-9H2,1H3.
What are the key properties of 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine has a molecular weight of 289.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine is sourced from PubChem (CID 102954321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).