(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride

C12H17ClF2N2O — CID 171174342

IUPAC(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C12H16F2N2O.ClH/c13-9-1-2-11(14)10(7-9)12(8-17)16-5-3-15-4-6-16;/h1-2,7,12,15,17H,3-6,8H2;1H/t12-;/m0./s1
InChIKeyVEUMASRYPAAILZ-YDALLXLXSA-N
MW278.73 g/mol
LogP1.33
Rot. Bonds3

About (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride

(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 171174342) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID171174342
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC[C@@H](c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C12H16F2N2O.ClH/c13-9-1-2-11(14)10(7-9)12(8-17)16-5-3-15-4-6-16;/h1-2,7,12,15,17H,3-6,8H2;1H/t12-;/m0./s1
InChIKeyVEUMASRYPAAILZ-YDALLXLXSA-N
XLogP1.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
(2S)-2-piperazin-1-yl-2-(2,4,5-trifluorophenyl)ethanol
CID 171173945
(2R)-2-(2-fluoro-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174680
1-[(1S)-2-cyclopropyl-1-(2,5-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171164206
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
1-[1-(2,5-difluorophenyl)propyl]-1,4-diazepane
CID 82298844
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2R)-2-piperazin-1-yl-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171174411
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride (CID 171174342) is (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride is Cl.OC[C@@H](c1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is VEUMASRYPAAILZ-YDALLXLXSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c13-9-1-2-11(14)10(7-9)12(8-17)16-5-3-15-4-6-16;/h1-2,7,12,15,17H,3-6,8H2;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride?
(2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 171174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).