4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride

C20H23ClF3NO — CID 10620142

IUPAC4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride
SMILESFC(F)(F)c1cccc(COCC2(c3ccccc3)CC[NH2+]CC2)c1.[Cl-]
InChIInChI=1S/C20H22F3NO.ClH/c21-20(22,23)18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17;/h1-8,13,24H,9-12,14-15H2;1H
InChIKeyDELKVZGDMITHJS-UHFFFAOYSA-N
MW385.86 g/mol
LogP0.52
Rot. Bonds5

About 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride

4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride (PubChem CID 10620142) has the molecular formula C20H23ClF3NO and a molecular weight of 385.86 g/mol. Its IUPAC name is 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride.

Molecular Properties

Compound Name4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride
PubChem CID10620142
Molecular FormulaC20H23ClF3NO
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC Name4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride
SMILESFC(F)(F)c1cccc(COCC2(c3ccccc3)CC[NH2+]CC2)c1.[Cl-]
InChIInChI=1S/C20H22F3NO.ClH/c21-20(22,23)18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17;/h1-8,13,24H,9-12,14-15H2;1H
InChIKeyDELKVZGDMITHJS-UHFFFAOYSA-N
XLogP0.52
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
Flumexadol
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L-733,060 hydrochloride
CID 11957600
4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-benzyl-3-phenylcyclobutanamine
CID 10128366
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanamine
CID 10216430
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride?
The IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride (CID 10620142) is 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride.
What is the SMILES notation for 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride?
The canonical SMILES for 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride is FC(F)(F)c1cccc(COCC2(c3ccccc3)CC[NH2+]CC2)c1.[Cl-].
What is the InChIKey of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride?
The InChIKey is DELKVZGDMITHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO.ClH/c21-20(22,23)18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17;/h1-8,13,24H,9-12,14-15H2;1H.
What are the key properties of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride?
4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride has a molecular weight of 385.86 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidin-1-ium chloride is sourced from PubChem (CID 10620142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).