tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate

C12H21F2NO3 — CID 170341437

IUPACtert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC(F)F)CC1
InChIInChI=1S/C12H21F2NO3/c1-11(2,3)18-10(16)15-6-4-12(17,5-7-15)8-9(13)14/h9,17H,4-8H2,1-3H3
InChIKeyRNBZDZZIGKPGOG-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 170341437) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID170341437
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Nametert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CC(F)F)CC1
InChIInChI=1S/C12H21F2NO3/c1-11(2,3)18-10(16)15-6-4-12(17,5-7-15)8-9(13)14/h9,17H,4-8H2,1-3H3
InChIKeyRNBZDZZIGKPGOG-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperidine-1-carboxylate
CID 22744586
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-hydroxy-4-[[methyl(2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 67650801
tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
CID 145290232
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 4-(chlorooxymethyl)-4-fluoropiperidine-1-carboxylate
CID 70885046
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate (CID 170341437) is tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CC(F)F)CC1.
What is the InChIKey of tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is RNBZDZZIGKPGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-11(2,3)18-10(16)15-6-4-12(17,5-7-15)8-9(13)14/h9,17H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 265.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 170341437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).