tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate

C11H19F3N2O2 — CID 67035574

IUPACtert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)[C@@H](N)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-7(8(15)6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3/t7-,8-/m0/s1
InChIKeyBSKPTFCIFODADH-YUMQZZPRSA-N
MW268.28 g/mol
LogP2.13
Rot. Bonds

About tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 67035574) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID67035574
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)[C@@H](N)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-7(8(15)6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3/t7-,8-/m0/s1
InChIKeyBSKPTFCIFODADH-YUMQZZPRSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-BOC-3-Aminopiperidine
CID 545809
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
tert-Butyl 3-(propan-2-yl)piperazine-1-carboxylate
CID 44558596
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
CID 43523185
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 3-cyclopropylpiperazine-1-carboxylate
CID 53429465
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
tert-butyl N-((3-methylpiperidin-2-yl)methyl)carbamate
CID 63305138

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate (CID 67035574) is tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)[C@@H](N)C1.
What is the InChIKey of tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is BSKPTFCIFODADH-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-5-4-7(8(15)6-16)11(12,13)14/h7-8H,4-6,15H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate?
tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67035574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).