methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate

C11H20F2N2O3 — CID 83992933

IUPACmethyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(NCC(F)F)CC(C(C)O)C1
InChIInChI=1S/C11H20F2N2O3/c1-7(16)8-3-9(14-4-10(12)13)6-15(5-8)11(17)18-2/h7-10,14,16H,3-6H2,1-2H3
InChIKeyRVPCPYBYIHCBFE-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.68
Rot. Bonds4

About methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate

methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 83992933) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID83992933
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Namemethyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(NCC(F)F)CC(C(C)O)C1
InChIInChI=1S/C11H20F2N2O3/c1-7(16)8-3-9(14-4-10(12)13)6-15(5-8)11(17)18-2/h7-10,14,16H,3-6H2,1-2H3
InChIKeyRVPCPYBYIHCBFE-UHFFFAOYSA-N
XLogP0.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83992992
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
methyl 3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992232
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
CID 83990952
2-[3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]acetonitrile
CID 83993356
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate (CID 83992933) is methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate is COC(=O)N1CC(NCC(F)F)CC(C(C)O)C1.
What is the InChIKey of methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is RVPCPYBYIHCBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c1-7(16)8-3-9(14-4-10(12)13)6-15(5-8)11(17)18-2/h7-10,14,16H,3-6H2,1-2H3.
What are the key properties of methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 83992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).