4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

C19H20F3NO — CID 11493735

IUPAC4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F3NO/c1-12-8-14(20)3-4-15(12)16-10-23-7-6-19(16)24-11-13-2-5-17(21)18(22)9-13/h2-5,8-9,16,19,23H,6-7,10-11H2,1H3
InChIKeyHWQAUQKMUUAWMW-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.07
Rot. Bonds4

About 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine

4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (PubChem CID 11493735) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
PubChem CID11493735
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F3NO/c1-12-8-14(20)3-4-15(12)16-10-23-7-6-19(16)24-11-13-2-5-17(21)18(22)9-13/h2-5,8-9,16,19,23H,6-7,10-11H2,1H3
InChIKeyHWQAUQKMUUAWMW-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine (CID 11493735) is 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
The InChIKey is HWQAUQKMUUAWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-12-8-14(20)3-4-15(12)16-10-23-7-6-19(16)24-11-13-2-5-17(21)18(22)9-13/h2-5,8-9,16,19,23H,6-7,10-11H2,1H3.
What are the key properties of 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine?
4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine has a molecular weight of 335.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 11493735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).