1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride

C15H22ClF3N2O2 — CID 171168839

IUPAC1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](CC(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-21-12-4-3-5-13(22-2)14(12)11(10-15(16,17)18)20-8-6-19-7-9-20;/h3-5,11,19H,6-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyPTTLVMJJNCKNSP-RFVHGSKJSA-N
MW354.80 g/mol
LogP3.02
Rot. Bonds5

About 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride (PubChem CID 171168839) has the molecular formula C15H22ClF3N2O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
PubChem CID171168839
Molecular FormulaC15H22ClF3N2O2
Molecular Weight354.80 g/mol
Exact Mass354.13
IUPAC Name1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](CC(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C15H21F3N2O2.ClH/c1-21-12-4-3-5-13(22-2)14(12)11(10-15(16,17)18)20-8-6-19-7-9-20;/h3-5,11,19H,6-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeyPTTLVMJJNCKNSP-RFVHGSKJSA-N
XLogP3.02
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302479
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510
3,5-dimethoxy-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171164214
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-6-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171166860
1-[(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287474
3-methoxy-2-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171167936
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305894
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090
(3S)-3-(2,6-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189484
1-[(1S)-3,3,3-trifluoro-1-(2,3,4,5,6-pentamethylphenyl)propyl]piperazine;hydrochloride
CID 171167302
1-[(1R)-1-(2-chloro-6-methylphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172187

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride (CID 171168839) is 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride is COc1cccc(OC)c1[C@@H](CC(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
The InChIKey is PTTLVMJJNCKNSP-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H21F3N2O2.ClH/c1-21-12-4-3-5-13(22-2)14(12)11(10-15(16,17)18)20-8-6-19-7-9-20;/h3-5,11,19H,6-10H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride has a molecular weight of 354.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,6-dimethoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171168839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).