1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine

C16H23F3N2O2 — CID 171168494

IUPAC1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
SMILESCOc1cc(OC)cc([C@@H](CCC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C16H23F3N2O2/c1-22-13-9-12(10-14(11-13)23-2)15(3-4-16(17,18)19)21-7-5-20-6-8-21/h9-11,15,20H,3-8H2,1-2H3/t15-/m1/s1
InChIKeyINDXPHAAUKXEAY-OAHLLOKOSA-N
MW332.37 g/mol
LogP2.99
Rot. Bonds6

About 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine

1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine (PubChem CID 171168494) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
PubChem CID171168494
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
SMILESCOc1cc(OC)cc([C@@H](CCC(F)(F)F)N2CCNCC2)c1
InChIInChI=1S/C16H23F3N2O2/c1-22-13-9-12(10-14(11-13)23-2)15(3-4-16(17,18)19)21-7-5-20-6-8-21/h9-11,15,20H,3-8H2,1-2H3/t15-/m1/s1
InChIKeyINDXPHAAUKXEAY-OAHLLOKOSA-N
XLogP2.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171273682
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1R)-4,4,4-trifluoro-1-(6-methoxynaphthalen-2-yl)butyl]piperazine;hydrochloride
CID 171168427
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
2,6-dimethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171168552
1-[(1R)-1-(3,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171169052
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
1-[(1R)-3,3,3-trifluoro-1-[3-methoxy-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171172
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164426

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine (CID 171168494) is 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine is COc1cc(OC)cc([C@@H](CCC(F)(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine?
The InChIKey is INDXPHAAUKXEAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-22-13-9-12(10-14(11-13)23-2)15(3-4-16(17,18)19)21-7-5-20-6-8-21/h9-11,15,20H,3-8H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine?
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine has a molecular weight of 332.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine is sourced from PubChem (CID 171168494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).