1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine

C16H23F3N2O2 — CID 171172220

IUPAC1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine
SMILESCCOc1cc([C@@H](CC(F)(F)F)N2CCNCC2)ccc1OC
InChIInChI=1S/C16H23F3N2O2/c1-3-23-15-10-12(4-5-14(15)22-2)13(11-16(17,18)19)21-8-6-20-7-9-21/h4-5,10,13,20H,3,6-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCFFDOKAJGHHMQF-CYBMUJFWSA-N
MW332.37 g/mol
LogP2.99
Rot. Bonds6

About 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine

1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine (PubChem CID 171172220) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine
PubChem CID171172220
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine
SMILESCCOc1cc([C@@H](CC(F)(F)F)N2CCNCC2)ccc1OC
InChIInChI=1S/C16H23F3N2O2/c1-3-23-15-10-12(4-5-14(15)22-2)13(11-16(17,18)19)21-8-6-20-7-9-21/h4-5,10,13,20H,3,6-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCFFDOKAJGHHMQF-CYBMUJFWSA-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)-1-(4-ethoxy-3-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303982
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166884
1-[(1S)-1-(4-ethoxy-3-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167191
1-[(1R)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 171172681
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171303090
1-[(1S)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171163032
(3R)-3-(3-ethoxy-4-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171307015
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171280922
1-[1-(3-ethoxy-4-methoxyphenyl)pentyl]-1,4-diazepane
CID 3285664
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(S)-(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280909

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine (CID 171172220) is 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine is CCOc1cc([C@@H](CC(F)(F)F)N2CCNCC2)ccc1OC.
What is the InChIKey of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine?
The InChIKey is CFFDOKAJGHHMQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-23-15-10-12(4-5-14(15)22-2)13(11-16(17,18)19)21-8-6-20-7-9-21/h4-5,10,13,20H,3,6-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine?
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]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-ethoxy-4-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine is sourced from PubChem (CID 171172220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).