tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate

C10H19FN2O2 — CID 53302083

IUPACtert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyMPIIBGAKGQZLDK-HTQZYQBOSA-N
MW218.27 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate

tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate (PubChem CID 53302083) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate
PubChem CID53302083
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Nametert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyMPIIBGAKGQZLDK-HTQZYQBOSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-Boc-piperidine
CID 1268291
CP-101537
CID 11127248
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate (CID 53302083) is tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1F.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate?
The InChIKey is MPIIBGAKGQZLDK-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate has a molecular weight of 218.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate is sourced from PubChem (CID 53302083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).