tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate

C15H26F2N2O2 — CID 129320021

IUPACtert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCCC2)C(F)(F)C1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-10-7-12(15(16,17)11-19)18-8-5-4-6-9-18/h12H,4-11H2,1-3H3
InChIKeyDKJQWXHZBGORRW-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.12
Rot. Bonds1

About tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate

tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 129320021) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate
PubChem CID129320021
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Nametert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCCC2)C(F)(F)C1
InChIInChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-10-7-12(15(16,17)11-19)18-8-5-4-6-9-18/h12H,4-11H2,1-3H3
InChIKeyDKJQWXHZBGORRW-UHFFFAOYSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-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-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
tert-Butyl 4,4-difluoropiperidine-1-carboxylate
CID 21192511
Tert-butyl 4-amino-(1,4'-bipiperidine)-1'-carboxylate
CID 53415311
4-(2,2-Difluoro-ethylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 45158821
tert-Butyl 4-oxo(1,4'-bipiperidine)-1'-carboxylate
CID 53419028
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
CID 56932105
1-((Tert-butoxy)carbonyl)-4-isocyanopiperidine
CID 57804264
t-Butyl (4R)-4-amino-3,3-difluoropiperidine-1-carboxylate
CID 86333108
Tert-butyl 3,3-difluoropiperidine-1-carboxylate
CID 49759153
tert-Butyl 4-((trifluoromethyl)amino)piperidine-1-carboxylate
CID 71629851
Tert-butyl 4-amino-2-(trifluoromethyl)piperidine-1-carboxylate
CID 138108587
rac-tert-butyl (2R,4S)-4-amino-2-(trifluoromethyl)piperidine-1-carboxylate
CID 155820128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate (CID 129320021) is tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCCCC2)C(F)(F)C1.
What is the InChIKey of tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate?
The InChIKey is DKJQWXHZBGORRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-14(2,3)21-13(20)19-10-7-12(15(16,17)11-19)18-8-5-4-6-9-18/h12H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate?
tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 304.38 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-difluoro-4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 129320021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).