3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine

C14H19F2NO2 — CID 117430926

IUPAC3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
SMILESCOc1cc(OC)c(C2CCCNC2)cc1C(F)F
InChIInChI=1S/C14H19F2NO2/c1-18-12-7-13(19-2)11(14(15)16)6-10(12)9-4-3-5-17-8-9/h6-7,9,14,17H,3-5,8H2,1-2H3
InChIKeyWKMYTPOZOGXPGR-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.11
Rot. Bonds4

About 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine

3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine (PubChem CID 117430926) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
PubChem CID117430926
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
SMILESCOc1cc(OC)c(C2CCCNC2)cc1C(F)F
InChIInChI=1S/C14H19F2NO2/c1-18-12-7-13(19-2)11(14(15)16)6-10(12)9-4-3-5-17-8-9/h6-7,9,14,17H,3-5,8H2,1-2H3
InChIKeyWKMYTPOZOGXPGR-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
(3S)-3-[4-(difluoromethoxymethyl)-2,5-dimethoxyphenyl]piperidine
CID 178136922
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-(5-ethyl-4-fluoro-2-methoxyphenyl)piperidine
CID 117347386
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
(3S)-3-(5-chloro-2-methoxyphenyl)piperidine
CID 94259889
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
1-(2,5-dimethoxy-4-piperidin-3-ylphenyl)piperidine
CID 117489901
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine?
The IUPAC name of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine (CID 117430926) is 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine.
What is the SMILES notation for 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine?
The canonical SMILES for 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine is COc1cc(OC)c(C2CCCNC2)cc1C(F)F.
What is the InChIKey of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine?
The InChIKey is WKMYTPOZOGXPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-12-7-13(19-2)11(14(15)16)6-10(12)9-4-3-5-17-8-9/h6-7,9,14,17H,3-5,8H2,1-2H3.
What are the key properties of 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine?
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine has a molecular weight of 271.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine is sourced from PubChem (CID 117430926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).