2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol

C14H18F3NO2 — CID 117467242

IUPAC2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(CC2CCCNC2)c1O
InChIInChI=1S/C14H18F3NO2/c1-20-13-11(14(15,16)17)5-4-10(12(13)19)7-9-3-2-6-18-8-9/h4-5,9,18-19H,2-3,6-8H2,1H3
InChIKeyYQDYLFJNSMJICG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.96
Rot. Bonds3

About 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol

2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol (PubChem CID 117467242) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
PubChem CID117467242
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
SMILESCOc1c(C(F)(F)F)ccc(CC2CCCNC2)c1O
InChIInChI=1S/C14H18F3NO2/c1-20-13-11(14(15,16)17)5-4-10(12(13)19)7-9-3-2-6-18-8-9/h4-5,9,18-19H,2-3,6-8H2,1H3
InChIKeyYQDYLFJNSMJICG-UHFFFAOYSA-N
XLogP2.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
2-methoxy-6-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)phenol
CID 117439926
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
CID 84710536
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
2-chloro-4-(piperidin-3-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473845
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol?
The IUPAC name of 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol (CID 117467242) is 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol is COc1c(C(F)(F)F)ccc(CC2CCCNC2)c1O.
What is the InChIKey of 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol?
The InChIKey is YQDYLFJNSMJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-20-13-11(14(15,16)17)5-4-10(12(13)19)7-9-3-2-6-18-8-9/h4-5,9,18-19H,2-3,6-8H2,1H3.
What are the key properties of 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol?
2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol has a molecular weight of 289.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117467242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).