4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C20H21ClF3NO — CID 71720664

IUPAC4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H21ClF3NO/c21-18-11-15(10-17(12-18)20(22,23)24)13-26-14-19(6-8-25-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,25H,6-9,13-14H2
InChIKeyWWDAJXARVJHRBI-UHFFFAOYSA-N
MW383.84 g/mol
LogP5.20
Rot. Bonds5

About 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 71720664) has the molecular formula C20H21ClF3NO and a molecular weight of 383.84 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID71720664
Molecular FormulaC20H21ClF3NO
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H21ClF3NO/c21-18-11-15(10-17(12-18)20(22,23)24)13-26-14-19(6-8-25-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,25H,6-9,13-14H2
InChIKeyWWDAJXARVJHRBI-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.84
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10047566
4-(3,5-Dichloro-benzyloxymethyl)-4-phenyl-piperidine
CID 10360490
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylpiperidine
CID 10364638
4-(3-tert-Butyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10499624
4-Phenyl-4-(2-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10548166
4-Phenyl-4-(3-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10620143
4-(3-tert-Butyl-5-methyl-benzyloxymethyl)-4-phenyl-piperidine
CID 10834119
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-phenylazocane
CID 11619202
4-Phenyl-4-(4-trifluoromethyl-benzyloxymethyl)-piperidine
CID 19960248
4-[[3-(4-Fluorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782911
4-[[3-(4-Chlorophenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782912
4-[[3-(4-Methylphenyl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 24782913

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 71720664) is 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is FC(F)(F)c1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is WWDAJXARVJHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3NO/c21-18-11-15(10-17(12-18)20(22,23)24)13-26-14-19(6-8-25-9-7-19)16-4-2-1-3-5-16/h1-5,10-12,25H,6-9,13-14H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 383.84 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 71720664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).