2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol

C13H18F2N2O — CID 2996996

IUPAC2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CNCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c14-12-2-1-10(7-13(12)15)9-17-5-4-16-8-11(17)3-6-18/h1-2,7,11,16,18H,3-6,8-9H2
InChIKeyGUXIIDOQCZJWFE-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.12
Rot. Bonds4

About 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol

2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 2996996) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID2996996
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CNCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c14-12-2-1-10(7-13(12)15)9-17-5-4-16-8-11(17)3-6-18/h1-2,7,11,16,18H,3-6,8-9H2
InChIKeyGUXIIDOQCZJWFE-UHFFFAOYSA-N
XLogP1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 95165232
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
CID 82924877
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95897732
2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 95870143
2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64846052
[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95871301
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45217777

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol (CID 2996996) is 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol is OCCC1CNCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is GUXIIDOQCZJWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-12-2-1-10(7-13(12)15)9-17-5-4-16-8-11(17)3-6-18/h1-2,7,11,16,18H,3-6,8-9H2.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 2996996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).