tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate

C13H24F2N2O3 — CID 104857422

IUPACtert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C13H24F2N2O3/c1-12(2,3)20-11(19)17-6-4-10(5-7-17)16-8-13(14,15)9-18/h10,16,18H,4-9H2,1-3H3
InChIKeyZCBXZVHVLYYQNX-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.60
Rot. Bonds4

About tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate (PubChem CID 104857422) has the molecular formula C13H24F2N2O3 and a molecular weight of 294.34 g/mol. Its IUPAC name is tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate
PubChem CID104857422
Molecular FormulaC13H24F2N2O3
Molecular Weight294.34 g/mol
Exact Mass294.18
IUPAC Nametert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C13H24F2N2O3/c1-12(2,3)20-11(19)17-6-4-10(5-7-17)16-8-13(14,15)9-18/h10,16,18H,4-9H2,1-3H3
InChIKeyZCBXZVHVLYYQNX-UHFFFAOYSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
CID 56932105
tert-butyl N-(3,3-difluoropiperidin-4-yl)carbamate
CID 72207657
t-Butyl (4R)-4-amino-3,3-difluoropiperidine-1-carboxylate
CID 86333108
tert-butyl N-(2-hydroxyethyl)-N-(piperidin-4-yl)carbamate
CID 125451291
Tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 130003369
Tert-butyl 4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CID 21993671
tert-Butyl 4-((trifluoromethyl)amino)piperidine-1-carboxylate
CID 71629851
4-(2,2-Difluoro-ethylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 45158821
Tert-butyl 4-amino-2-(trifluoromethyl)piperidine-1-carboxylate
CID 138108587
tert-Butyl 4-((3,3-difluorocyclobutyl)amino)piperidine-1-carboxylate
CID 145452899
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 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate (CID 104857422) is tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate?
The InChIKey is ZCBXZVHVLYYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O3/c1-12(2,3)20-11(19)17-6-4-10(5-7-17)16-8-13(14,15)9-18/h10,16,18H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 104857422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).