tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate

C12H23FN2O3 — CID 69090813

IUPACtert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCO)CC1F
InChIInChI=1S/C12H23FN2O3/c1-12(2,3)18-11(17)14-10-4-5-15(6-7-16)8-9(10)13/h9-10,16H,4-8H2,1-3H3,(H,14,17)
InChIKeyGYVVHSXWHBQEFZ-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.92
Rot. Bonds3

About tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate

tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate (PubChem CID 69090813) has the molecular formula C12H23FN2O3 and a molecular weight of 262.32 g/mol. Its IUPAC name is tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate
PubChem CID69090813
Molecular FormulaC12H23FN2O3
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCO)CC1F
InChIInChI=1S/C12H23FN2O3/c1-12(2,3)18-11(17)14-10-4-5-15(6-7-16)8-9(10)13/h9-10,16H,4-8H2,1-3H3,(H,14,17)
InChIKeyGYVVHSXWHBQEFZ-UHFFFAOYSA-N
XLogP0.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
t-Butyl N-[(3S,4R)-rel-3-hydroxypiperidin-4-yl]carbamate
CID 10703946
rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
tert-butyl N-(1-(3-aminopropyl)piperidin-4-yl)carbamate
CID 19420460
1-Boc-3-fluoro-4-aminopiperidine
CID 21948952
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
rac-tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 45489895
tert-butyl N-((3R,4R)-3-fluoropiperidin-4-yl)carbamate
CID 53302083
Tert-butyl 4-((oxetan-3-yl)amino)piperidine-1-carboxylate
CID 56604304
rac-tert-butyl N-((3R,4R)-3-hydroxypiperidin-4-yl)carbamate
CID 58745574
(3S,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate
CID 67372954
Tert-butyl cis-4-amino-3-hydroxy-piperidine-1-carboxylate
CID 86657841

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate (CID 69090813) is tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCO)CC1F.
What is the InChIKey of tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate?
The InChIKey is GYVVHSXWHBQEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O3/c1-12(2,3)18-11(17)14-10-4-5-15(6-7-16)8-9(10)13/h9-10,16H,4-8H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate?
tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate has a molecular weight of 262.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 69090813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).