1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine

C20H21ClF3N — CID 167080866

IUPAC1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCN(Cc3ccc(C(F)(F)F)cc3Cl)C2)cc1
InChIInChI=1S/C20H21ClF3N/c1-14-4-6-15(7-5-14)16-3-2-10-25(12-16)13-17-8-9-18(11-19(17)21)20(22,23)24/h4-9,11,16H,2-3,10,12-13H2,1H3
InChIKeyVPUASZRWAJPSOA-UHFFFAOYSA-N
MW367.84 g/mol
LogP6.05
Rot. Bonds3

About 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine

1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine (PubChem CID 167080866) has the molecular formula C20H21ClF3N and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine
PubChem CID167080866
Molecular FormulaC20H21ClF3N
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC Name1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine
SMILESCc1ccc(C2CCCN(Cc3ccc(C(F)(F)F)cc3Cl)C2)cc1
InChIInChI=1S/C20H21ClF3N/c1-14-4-6-15(7-5-14)16-3-2-10-25(12-16)13-17-8-9-18(11-19(17)21)20(22,23)24/h4-9,11,16H,2-3,10,12-13H2,1H3
InChIKeyVPUASZRWAJPSOA-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
1-[(4-methylsulfanylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]piperidine
CID 167080859
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924034
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
1-[(4-ethynylphenyl)methyl]-3-(4-methylphenyl)piperidine
CID 167080839
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 11952114
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 3053803
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine?
The IUPAC name of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine (CID 167080866) is 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine.
What is the SMILES notation for 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine?
The canonical SMILES for 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine is Cc1ccc(C2CCCN(Cc3ccc(C(F)(F)F)cc3Cl)C2)cc1.
What is the InChIKey of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine?
The InChIKey is VPUASZRWAJPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N/c1-14-4-6-15(7-5-14)16-3-2-10-25(12-16)13-17-8-9-18(11-19(17)21)20(22,23)24/h4-9,11,16H,2-3,10,12-13H2,1H3.
What are the key properties of 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine?
1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine has a molecular weight of 367.84 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine is sourced from PubChem (CID 167080866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).