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

C14H19F2NO2 — CID 117430883

IUPAC4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C(F)F)c(C2CCNCC2)cc1OC
InChIInChI=1S/C14H19F2NO2/c1-18-12-7-10(9-3-5-17-6-4-9)11(14(15)16)8-13(12)19-2/h7-9,14,17H,3-6H2,1-2H3
InChIKeyOYSLTSOBYVPEHT-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.11
Rot. Bonds4

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

4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine (PubChem CID 117430883) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
PubChem CID117430883
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
SMILESCOc1cc(C(F)F)c(C2CCNCC2)cc1OC
InChIInChI=1S/C14H19F2NO2/c1-18-12-7-10(9-3-5-17-6-4-9)11(14(15)16)8-13(12)19-2/h7-9,14,17H,3-6H2,1-2H3
InChIKeyOYSLTSOBYVPEHT-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

4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
CID 117435420
4-[7-(difluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]piperidine
CID 117455371
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-(2-methoxyphenyl)piperidine
CID 544738
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421921
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 117386417
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497527
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
2,5-dimethoxy-4-piperidin-4-ylpyridine
CID 84687688

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine?
The IUPAC name of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine (CID 117430883) is 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine.
What is the SMILES notation for 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine?
The canonical SMILES for 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine is COc1cc(C(F)F)c(C2CCNCC2)cc1OC.
What is the InChIKey of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine?
The InChIKey is OYSLTSOBYVPEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-12-7-10(9-3-5-17-6-4-9)11(14(15)16)8-13(12)19-2/h7-9,14,17H,3-6H2,1-2H3.
What are the key properties of 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine?
4-[2-(difluoromethyl)-4,5-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 4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine is sourced from PubChem (CID 117430883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).