2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol

C16H23F3N2O2 — CID 171168746

IUPAC2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
SMILESCCOc1cc([C@@H](CCC(F)(F)F)N2CCNCC2)ccc1O
InChIInChI=1S/C16H23F3N2O2/c1-2-23-15-11-12(3-4-14(15)22)13(5-6-16(17,18)19)21-9-7-20-8-10-21/h3-4,11,13,20,22H,2,5-10H2,1H3/t13-/m1/s1
InChIKeyAFRVSTKAGOHUFH-CYBMUJFWSA-N
MW332.37 g/mol
LogP3.08
Rot. Bonds6

About 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol

2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol (PubChem CID 171168746) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
PubChem CID171168746
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
SMILESCCOc1cc([C@@H](CCC(F)(F)F)N2CCNCC2)ccc1O
InChIInChI=1S/C16H23F3N2O2/c1-2-23-15-11-12(3-4-14(15)22)13(5-6-16(17,18)19)21-9-7-20-8-10-21/h3-4,11,13,20,22H,2,5-10H2,1H3/t13-/m1/s1
InChIKeyAFRVSTKAGOHUFH-CYBMUJFWSA-N
XLogP3.08
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
1-[(1S)-1-(4-ethoxy-3-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171167191
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166884
2-methyl-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171167189
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
2-bromo-6-ethoxy-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171302823
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171172152
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
CID 171178730
2-fluoro-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162839

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol (CID 171168746) is 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol is CCOc1cc([C@@H](CCC(F)(F)F)N2CCNCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
The InChIKey is AFRVSTKAGOHUFH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-2-23-15-11-12(3-4-14(15)22)13(5-6-16(17,18)19)21-9-7-20-8-10-21/h3-4,11,13,20,22H,2,5-10H2,1H3/t13-/m1/s1.
What are the key properties of 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol has a molecular weight of 332.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171168746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).