4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol

C14H20F2N2O2 — CID 171287183

IUPAC4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
SMILESCCOc1cc([C@@H](C(F)F)N2CCNCC2)ccc1O
InChIInChI=1S/C14H20F2N2O2/c1-2-20-12-9-10(3-4-11(12)19)13(14(15)16)18-7-5-17-6-8-18/h3-4,9,13-14,17,19H,2,5-8H2,1H3/t13-/m0/s1
InChIKeyWMANCGPLEUCNTJ-ZDUSSCGKSA-N
MW286.32 g/mol
LogP2.00
Rot. Bonds5

About 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol

4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol (PubChem CID 171287183) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
PubChem CID171287183
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
SMILESCCOc1cc([C@@H](C(F)F)N2CCNCC2)ccc1O
InChIInChI=1S/C14H20F2N2O2/c1-2-20-12-9-10(3-4-11(12)19)13(14(15)16)18-7-5-17-6-8-18/h3-4,9,13-14,17,19H,2,5-8H2,1H3/t13-/m0/s1
InChIKeyWMANCGPLEUCNTJ-ZDUSSCGKSA-N
XLogP2.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171272474
4-[(1R)-2,2-difluoro-3-hydroxy-1-piperazin-1-ylpropyl]-2-ethoxyphenol;hydrochloride
CID 171178730
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310734
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
2-ethoxy-4-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171274568
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
CID 171288181
2-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-6-ethoxyphenol
CID 171296627

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol?
The IUPAC name of 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol (CID 171287183) is 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol is CCOc1cc([C@@H](C(F)F)N2CCNCC2)ccc1O.
What is the InChIKey of 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol?
The InChIKey is WMANCGPLEUCNTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-2-20-12-9-10(3-4-11(12)19)13(14(15)16)18-7-5-17-6-8-18/h3-4,9,13-14,17,19H,2,5-8H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol?
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol has a molecular weight of 286.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol is sourced from PubChem (CID 171287183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).