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

C11H22F2N2O2 — CID 83993398

IUPAC1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)F)CN(CCO)C1
InChIInChI=1S/C11H22F2N2O2/c1-8(17)9-4-10(14-5-11(12)13)7-15(6-9)2-3-16/h8-11,14,16-17H,2-7H2,1H3
InChIKeySJGIQYMEWWIJIV-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.10
Rot. Bonds6

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

1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol (PubChem CID 83993398) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
PubChem CID83993398
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)F)CN(CCO)C1
InChIInChI=1S/C11H22F2N2O2/c1-8(17)9-4-10(14-5-11(12)13)7-15(6-9)2-3-16/h8-11,14,16-17H,2-7H2,1H3
InChIKeySJGIQYMEWWIJIV-UHFFFAOYSA-N
XLogP-0.10
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol (CID 83993398) is 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)F)CN(CCO)C1.
What is the InChIKey of 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
The InChIKey is SJGIQYMEWWIJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-8(17)9-4-10(14-5-11(12)13)7-15(6-9)2-3-16/h8-11,14,16-17H,2-7H2,1H3.
What are the key properties of 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol has a molecular weight of 252.30 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-difluoroethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 83993398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).