2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol

C10H20F2N2O — CID 83993383

IUPAC2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
SMILESCC1CC(NCC(F)F)CN(CCO)C1
InChIInChI=1S/C10H20F2N2O/c1-8-4-9(13-5-10(11)12)7-14(6-8)2-3-15/h8-10,13,15H,2-7H2,1H3
InChIKeyFBQXALBRZJLEIW-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.54
Rot. Bonds5

About 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol

2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol (PubChem CID 83993383) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
PubChem CID83993383
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
SMILESCC1CC(NCC(F)F)CN(CCO)C1
InChIInChI=1S/C10H20F2N2O/c1-8-4-9(13-5-10(11)12)7-14(6-8)2-3-15/h8-10,13,15H,2-7H2,1H3
InChIKeyFBQXALBRZJLEIW-UHFFFAOYSA-N
XLogP0.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
3-[1-butyl-5-(2,2-difluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992872
1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993235
1-cyclohexyl-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993171
2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethanol
CID 83994767
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
2-[1-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993226
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol (CID 83993383) is 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol is CC1CC(NCC(F)F)CN(CCO)C1.
What is the InChIKey of 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol?
The InChIKey is FBQXALBRZJLEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-8-4-9(13-5-10(11)12)7-14(6-8)2-3-15/h8-10,13,15H,2-7H2,1H3.
What are the key properties of 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol?
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol is sourced from PubChem (CID 83993383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).