tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

C10H18F2N2O2 — CID 56932105

IUPACtert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChIKeyAPZOOTJWPGQYSZ-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.59
Rot. Bonds

About tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate

tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate (PubChem CID 56932105) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
PubChem CID56932105
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nametert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3
InChIKeyAPZOOTJWPGQYSZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-Butyl 4,4-difluoropiperidine-1-carboxylate
CID 21192511
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate (CID 56932105) is tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)C(F)(F)C1.
What is the InChIKey of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate?
The InChIKey is APZOOTJWPGQYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-7(13)10(11,12)6-14/h7H,4-6,13H2,1-3H3.
What are the key properties of tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate?
tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate has a molecular weight of 236.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3,3-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 56932105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).