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

C13H18F2N2O — CID 2057631

IUPAC2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O/c14-12-2-1-11(13(15)9-12)10-17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10H2
InChIKeyPOMKKIXVFDNZGM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.07
Rot. Bonds4

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

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 2057631) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID2057631
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H18F2N2O/c14-12-2-1-11(13(15)9-12)10-17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10H2
InChIKeyPOMKKIXVFDNZGM-UHFFFAOYSA-N
XLogP1.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
4-fluoro-2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 64765966
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341957
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
CID 63339468
1-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124425
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
2-[4-[(3,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 105407826

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol (CID 2057631) is 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is POMKKIXVFDNZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-12-2-1-11(13(15)9-12)10-17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10H2.
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2057631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).