(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine

C25H23F6NO2 — CID 10552836

IUPAC(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine
SMILESFC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23?/m0/s1
InChIKeyIEYWODZRHHRXAA-NQCNTLBGSA-N
MW483.45 g/mol
LogP7.24
Rot. Bonds6

About (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine

(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine (PubChem CID 10552836) has the molecular formula C25H23F6NO2 and a molecular weight of 483.45 g/mol. Its IUPAC name is (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine
PubChem CID10552836
Molecular FormulaC25H23F6NO2
Molecular Weight483.45 g/mol
Exact Mass483.16
IUPAC Name(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine
SMILESFC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23?/m0/s1
InChIKeyIEYWODZRHHRXAA-NQCNTLBGSA-N
XLogP7.24
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine?
The IUPAC name of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine (CID 10552836) is (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine.
What is the SMILES notation for (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine?
The canonical SMILES for (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine is FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccco3)C2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine?
The InChIKey is IEYWODZRHHRXAA-NQCNTLBGSA-N. The full InChI is InChI=1S/C25H23F6NO2/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)16-34-22-9-4-10-32(15-21-8-5-11-33-21)23(22)18-6-2-1-3-7-18/h1-3,5-8,11-14,22-23H,4,9-10,15-16H2/t22-,23?/m0/s1.
What are the key properties of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine?
(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine has a molecular weight of 483.45 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(furan-2-ylmethyl)-2-phenylpiperidine is sourced from PubChem (CID 10552836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).