(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine

C21H21F6NO — CID 10047567

IUPAC(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine
SMILESFC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(8-4-5-9-28-19)16-6-2-1-3-7-16/h1-3,6-7,10-12,28H,4-5,8-9,13-14H2/t19-/m0/s1
InChIKeySDAQMMFVBYMJDD-IBGZPJMESA-N
MW417.39 g/mol
LogP5.91
Rot. Bonds5

About (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine

(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine (PubChem CID 10047567) has the molecular formula C21H21F6NO and a molecular weight of 417.39 g/mol. Its IUPAC name is (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine.

Molecular Properties

Compound Name(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine
PubChem CID10047567
Molecular FormulaC21H21F6NO
Molecular Weight417.39 g/mol
Exact Mass417.15
IUPAC Name(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine
SMILESFC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCCN2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(8-4-5-9-28-19)16-6-2-1-3-7-16/h1-3,6-7,10-12,28H,4-5,8-9,13-14H2/t19-/m0/s1
InChIKeySDAQMMFVBYMJDD-IBGZPJMESA-N
XLogP5.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.39
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine?
The IUPAC name of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine (CID 10047567) is (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine.
What is the SMILES notation for (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine?
The canonical SMILES for (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine is FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCCN2)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine?
The InChIKey is SDAQMMFVBYMJDD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21F6NO/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-29-14-19(8-4-5-9-28-19)16-6-2-1-3-7-16/h1-3,6-7,10-12,28H,4-5,8-9,13-14H2/t19-/m0/s1.
What are the key properties of (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine?
(2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine has a molecular weight of 417.39 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpiperidine is sourced from PubChem (CID 10047567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).