tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate

C13H24FNO3 — CID 53302080

IUPACtert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(F)CO)CC1
InChIInChI=1S/C13H24FNO3/c1-13(2,3)18-12(17)15-6-4-10(5-7-15)8-11(14)9-16/h10-11,16H,4-9H2,1-3H3
InChIKeyZEOGHYYVHWKDGB-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate

tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 53302080) has the molecular formula C13H24FNO3 and a molecular weight of 261.34 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
PubChem CID53302080
Molecular FormulaC13H24FNO3
Molecular Weight261.34 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(F)CO)CC1
InChIInChI=1S/C13H24FNO3/c1-13(2,3)18-12(17)15-6-4-10(5-7-15)8-11(14)9-16/h10-11,16H,4-9H2,1-3H3
InChIKeyZEOGHYYVHWKDGB-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
CID 134168095
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
CID 142324969
tert-butyl 4-(2-amino-3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 166756850
tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate (CID 53302080) is tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(F)CO)CC1.
What is the InChIKey of tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is ZEOGHYYVHWKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO3/c1-13(2,3)18-12(17)15-6-4-10(5-7-15)8-11(14)9-16/h10-11,16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate?
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 261.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 53302080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).