1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol

C15H22F2N2O — CID 60970497

IUPAC1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
SMILESOC(CNCCN1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O/c16-12-4-5-13(14(17)10-12)15(20)11-18-6-9-19-7-2-1-3-8-19/h4-5,10,15,18,20H,1-3,6-9,11H2
InChIKeyWLCDMLSJMONDCR-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.07
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol

1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol (PubChem CID 60970497) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
PubChem CID60970497
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol
SMILESOC(CNCCN1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O/c16-12-4-5-13(14(17)10-12)15(20)11-18-6-9-19-7-2-1-3-8-19/h4-5,10,15,18,20H,1-3,6-9,11H2
InChIKeyWLCDMLSJMONDCR-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
1-(4-fluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325448

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol (CID 60970497) is 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol is OC(CNCCN1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol?
The InChIKey is WLCDMLSJMONDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c16-12-4-5-13(14(17)10-12)15(20)11-18-6-9-19-7-2-1-3-8-19/h4-5,10,15,18,20H,1-3,6-9,11H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol?
1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol has a molecular weight of 284.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-piperidin-1-ylethylamino)ethanol is sourced from PubChem (CID 60970497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).