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

C21H21F6NO — CID 10364638

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCCNC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H21F6NO/c22-20(23,24)17-9-15(10-18(11-17)21(25,26)27)12-29-14-19(7-4-8-28-13-19)16-5-2-1-3-6-16/h1-3,5-6,9-11,28H,4,7-8,12-14H2
InChIKeyJCQSGNUMUCYWTO-UHFFFAOYSA-N
MW417.39 g/mol
LogP5.56
Rot. Bonds5

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

3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine (PubChem CID 10364638) has the molecular formula C21H21F6NO and a molecular weight of 417.39 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
PubChem CID10364638
Molecular FormulaC21H21F6NO
Molecular Weight417.39 g/mol
Exact Mass417.15
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCCNC2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H21F6NO/c22-20(23,24)17-9-15(10-18(11-17)21(25,26)27)12-29-14-19(7-4-8-28-13-19)16-5-2-1-3-6-16/h1-3,5-6,9-11,28H,4,7-8,12-14H2
InChIKeyJCQSGNUMUCYWTO-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
Flumexadol
CID 65774
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-methyl-4-phenyl-piperidine
CID 10502796
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
3'-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
CID 24785978
2,6-Difluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993533
2,5-Difluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 58993655
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
4-(3-tert-Butyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10499624
4-Phenyl-4-(2-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10548166
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-1-phenethyl-4-phenyl-piperidine
CID 10602065

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine (CID 10364638) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCCNC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine?
The InChIKey is JCQSGNUMUCYWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6NO/c22-20(23,24)17-9-15(10-18(11-17)21(25,26)27)12-29-14-19(7-4-8-28-13-19)16-5-2-1-3-6-16/h1-3,5-6,9-11,28H,4,7-8,12-14H2.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine has a molecular weight of 417.39 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine is sourced from PubChem (CID 10364638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).