1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

C20H22ClF3N2O2 — CID 10158744

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1OC
InChIInChI=1S/C20H22ClF3N2O2/c1-27-18-6-3-14(11-19(18)28-2)13-25-7-9-26(10-8-25)15-4-5-17(21)16(12-15)20(22,23)24/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyVSVZWGSGOUUOBY-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine

1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 10158744) has the molecular formula C20H22ClF3N2O2 and a molecular weight of 414.86 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
PubChem CID10158744
Molecular FormulaC20H22ClF3N2O2
Molecular Weight414.86 g/mol
Exact Mass414.13
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1OC
InChIInChI=1S/C20H22ClF3N2O2/c1-27-18-6-3-14(11-19(18)28-2)13-25-7-9-26(10-8-25)15-4-5-17(21)16(12-15)20(22,23)24/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyVSVZWGSGOUUOBY-UHFFFAOYSA-N
XLogP4.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpiperazine
CID 23395638
1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]piperazine
CID 14097041
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-ethylaniline;ethane
CID 145113346
1-[(5-tert-butylfuran-2-yl)methyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine
CID 22762695
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine
CID 70113335
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605
1-[(3,4-dimethoxyphenyl)methyl]-4-[4-[4-(trifluoromethoxy)phenyl]sulfanyloxyphenyl]piperazine;propane
CID 145113172
1-[4-chloro-3-(trifluoromethoxy)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]-2-methylpiperazine
CID 10160745
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[1-(3-ethyl-4-methoxyphenyl)propyl]piperazine
CID 71090672
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
CID 69345184
(3R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 69472148

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine (CID 10158744) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1OC.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is VSVZWGSGOUUOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N2O2/c1-27-18-6-3-14(11-19(18)28-2)13-25-7-9-26(10-8-25)15-4-5-17(21)16(12-15)20(22,23)24/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine?
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 414.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 10158744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).