3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C19H19ClF3N — CID 167080813

IUPAC3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCCC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H19ClF3N/c20-18-9-5-15(6-10-18)16-2-1-11-24(13-16)12-14-3-7-17(8-4-14)19(21,22)23/h3-10,16H,1-2,11-13H2
InChIKeyRPOSAJFTTRLYAC-UHFFFAOYSA-N
MW353.82 g/mol
LogP5.74
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine

3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 167080813) has the molecular formula C19H19ClF3N and a molecular weight of 353.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID167080813
Molecular FormulaC19H19ClF3N
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccc(CN2CCCC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H19ClF3N/c20-18-9-5-15(6-10-18)16-2-1-11-24(13-16)12-14-3-7-17(8-4-14)19(21,22)23/h3-10,16H,1-2,11-13H2
InChIKeyRPOSAJFTTRLYAC-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.82
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methylsulfanylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]piperidine
CID 167080859
1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine
CID 167080866
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
[3-(4-chlorophenyl)azepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121146514
3-(1-ethylimidazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 70722751
1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992190
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
CID 131892982
methyl 2-[(3S,5S)-1-[(4-chlorophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetate
CID 163370884
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154830019

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 167080813) is 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccc(CN2CCCC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is RPOSAJFTTRLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N/c20-18-9-5-15(6-10-18)16-2-1-11-24(13-16)12-14-3-7-17(8-4-14)19(21,22)23/h3-10,16H,1-2,11-13H2.
What are the key properties of 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 353.82 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 167080813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).