tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate

C11H21FN2O2 — CID 155895330

IUPACtert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N)C1CF
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-4-5-8(13)9(14)7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyYLANHHWCHSLTKF-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate

tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate (PubChem CID 155895330) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
PubChem CID155895330
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N)C1CF
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-4-5-8(13)9(14)7-12/h8-9H,4-7,13H2,1-3H3
InChIKeyYLANHHWCHSLTKF-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate
CID 82379100
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409
tert-butyl 3-amino-2-[(3-bromo-2-fluorophenyl)methyl]piperidine-1-carboxylate
CID 165393528
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
CID 163245918
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2,3-bis(cyanomethyl)piperidine-1-carboxylate
CID 175343955
tert-butyl (2S)-3-amino-2-(2-methylsulfanylethyl)pyrrolidine-1-carboxylate
CID 82380097
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate (CID 155895330) is tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(N)C1CF.
What is the InChIKey of tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate?
The InChIKey is YLANHHWCHSLTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-6-4-5-8(13)9(14)7-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate?
tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 155895330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).