3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine

C14H19F2NO — CID 84804959

IUPAC3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCNC2)cc1C(F)F
InChIInChI=1S/C14H19F2NO/c1-18-13-5-4-10(8-12(13)14(15)16)7-11-3-2-6-17-9-11/h4-5,8,11,14,17H,2-3,6-7,9H2,1H3
InChIKeyFMVXIQHFLCCRPM-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.17
Rot. Bonds4

About 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine

3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine (PubChem CID 84804959) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
PubChem CID84804959
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
SMILESCOc1ccc(CC2CCCNC2)cc1C(F)F
InChIInChI=1S/C14H19F2NO/c1-18-13-5-4-10(8-12(13)14(15)16)7-11-3-2-6-17-9-11/h4-5,8,11,14,17H,2-3,6-7,9H2,1H3
InChIKeyFMVXIQHFLCCRPM-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785
3-[[4-methoxy-3-(4-methylcyclohexyl)phenyl]methyl]piperidine
CID 117485752
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
2-fluoro-3-methoxy-5-(piperidin-3-ylmethyl)phenol
CID 84799634

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine?
The IUPAC name of 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine (CID 84804959) is 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine.
What is the SMILES notation for 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine?
The canonical SMILES for 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine is COc1ccc(CC2CCCNC2)cc1C(F)F.
What is the InChIKey of 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine?
The InChIKey is FMVXIQHFLCCRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-13-5-4-10(8-12(13)14(15)16)7-11-3-2-6-17-9-11/h4-5,8,11,14,17H,2-3,6-7,9H2,1H3.
What are the key properties of 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine?
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine has a molecular weight of 255.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine is sourced from PubChem (CID 84804959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).