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

C12H22F2N2O — CID 83993163

IUPAC1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)F)CN(C2CC2)C1
InChIInChI=1S/C12H22F2N2O/c1-8(17)9-4-10(15-5-12(13)14)7-16(6-9)11-2-3-11/h8-12,15,17H,2-7H2,1H3
InChIKeyXZEPZGATFRLZOD-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.07
Rot. Bonds5

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

1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83993163) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83993163
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(F)F)CN(C2CC2)C1
InChIInChI=1S/C12H22F2N2O/c1-8(17)9-4-10(15-5-12(13)14)7-16(6-9)11-2-3-11/h8-12,15,17H,2-7H2,1H3
InChIKeyXZEPZGATFRLZOD-UHFFFAOYSA-N
XLogP1.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
2-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]acetonitrile
CID 83993356
1-cyclopropyl-5-(cyclopropylmethyl)-N-(2,2-difluoroethyl)piperidin-3-amine
CID 83993151
1-cyclohexyl-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993171
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
1-cyclopentyl-N-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83994520
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
1-[1-cyclohexyl-5-(cyclohexylamino)piperidin-3-yl]ethanol
CID 83999401
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991148
1-cyclopropyl-N-(2,2-difluoroethyl)-5-thiophen-2-ylpiperidin-3-amine
CID 83993153

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol (CID 83993163) is 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC(F)F)CN(C2CC2)C1.
What is the InChIKey of 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is XZEPZGATFRLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-8(17)9-4-10(15-5-12(13)14)7-16(6-9)11-2-3-11/h8-12,15,17H,2-7H2,1H3.
What are the key properties of 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol?
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 248.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83993163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).