2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol

C10H20F2N2O — CID 107494945

IUPAC2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCCNC1
InChIInChI=1S/C10H20F2N2O/c11-10(12)8-14(4-5-15)7-9-2-1-3-13-6-9/h9-10,13,15H,1-8H2
InChIKeyDWUQUQYLDRYLRJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.55
Rot. Bonds6

About 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol

2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol (PubChem CID 107494945) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
PubChem CID107494945
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCCNC1
InChIInChI=1S/C10H20F2N2O/c11-10(12)8-14(4-5-15)7-9-2-1-3-13-6-9/h9-10,13,15H,1-8H2
InChIKeyDWUQUQYLDRYLRJ-UHFFFAOYSA-N
XLogP0.55
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-difluoro-N-(piperidin-3-ylmethyl)ethanamine
CID 106638969
1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 106638403
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
2-[(5-bromothiophen-2-yl)methyl-(piperidin-3-ylmethyl)amino]ethanol
CID 120851982
piperidin-3-ylmethanol
CID 161361606
2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 120849278
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
CID 107486535
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol (CID 107494945) is 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol is OCCN(CC(F)F)CC1CCCNC1.
What is the InChIKey of 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol?
The InChIKey is DWUQUQYLDRYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c11-10(12)8-14(4-5-15)7-9-2-1-3-13-6-9/h9-10,13,15H,1-8H2.
What are the key properties of 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(piperidin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 107494945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).