4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine

C38H39F7N2O2 — CID 157387437

IUPAC4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1c(F)cc(F)cc1F.Cc1cc(F)ccc1C1CNCCC1OCc1cc(F)ccc1F
InChIInChI=1S/C19H19F4NO.C19H20F3NO/c1-11-6-12(20)2-3-14(11)15-9-24-5-4-19(15)25-10-16-17(22)7-13(21)8-18(16)23;1-12-8-14(20)2-4-16(12)17-10-23-7-6-19(17)24-11-13-9-15(21)3-5-18(13)22/h2-3,6-8,15,19,24H,4-5,9-10H2,1H3;2-5,8-9,17,19,23H,6-7,10-11H2,1H3
InChIKeyBLPGMZUEUZONKE-UHFFFAOYSA-N
MW688.73 g/mol
LogP8.29
Rot. Bonds8

About 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine

4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine (PubChem CID 157387437) has the molecular formula C38H39F7N2O2 and a molecular weight of 688.73 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine
PubChem CID157387437
Molecular FormulaC38H39F7N2O2
Molecular Weight688.73 g/mol
Exact Mass688.29
IUPAC Name4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine
SMILESCc1cc(F)ccc1C1CNCCC1OCc1c(F)cc(F)cc1F.Cc1cc(F)ccc1C1CNCCC1OCc1cc(F)ccc1F
InChIInChI=1S/C19H19F4NO.C19H20F3NO/c1-11-6-12(20)2-3-14(11)15-9-24-5-4-19(15)25-10-16-17(22)7-13(21)8-18(16)23;1-12-8-14(20)2-4-16(12)17-10-23-7-6-19(17)24-11-13-9-15(21)3-5-18(13)22/h2-3,6-8,15,19,24H,4-5,9-10H2,1H3;2-5,8-9,17,19,23H,6-7,10-11H2,1H3
InChIKeyBLPGMZUEUZONKE-UHFFFAOYSA-N
XLogP8.29
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.73
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine?
The IUPAC name of 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine (CID 157387437) is 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine?
The canonical SMILES for 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine is Cc1cc(F)ccc1C1CNCCC1OCc1c(F)cc(F)cc1F.Cc1cc(F)ccc1C1CNCCC1OCc1cc(F)ccc1F.
What is the InChIKey of 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine?
The InChIKey is BLPGMZUEUZONKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO.C19H20F3NO/c1-11-6-12(20)2-3-14(11)15-9-24-5-4-19(15)25-10-16-17(22)7-13(21)8-18(16)23;1-12-8-14(20)2-4-16(12)17-10-23-7-6-19(17)24-11-13-9-15(21)3-5-18(13)22/h2-3,6-8,15,19,24H,4-5,9-10H2,1H3;2-5,8-9,17,19,23H,6-7,10-11H2,1H3.
What are the key properties of 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine?
4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine has a molecular weight of 688.73 g/mol, XLogP of 8.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methoxy]-3-(4-fluoro-2-methylphenyl)piperidine;3-(4-fluoro-2-methylphenyl)-4-[(2,4,6-trifluorophenyl)methoxy]piperidine is sourced from PubChem (CID 157387437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).