tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

C15H27FN2O3 — CID 155345331

IUPACtert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CCC(O)CC2)[C@H](F)C1
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(20)18-9-6-13(12(16)10-18)17-7-4-11(19)5-8-17/h11-13,19H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyJKSCYHZTNQNPEG-CHWSQXEVSA-N
MW302.39 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate

tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 155345331) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
PubChem CID155345331
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CCC(O)CC2)[C@H](F)C1
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(20)18-9-6-13(12(16)10-18)17-7-4-11(19)5-8-17/h11-13,19H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyJKSCYHZTNQNPEG-CHWSQXEVSA-N
XLogP1.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-Boc-3-fluoro-4-hydroxypiperidine
CID 40152147
tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152152
rac-tert-butyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653314
tert-Butyl (3S,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152148
rac-tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 40152150
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 42609254
(2S,4S)-N-Boc-2-methyl-4-piperidinol
CID 45097440
(2S,4R)-1-Boc-2-methyl-4-hydroxypiperidine
CID 45097441
tert-Butyl 3,3-difluoro-4-hydroxypiperidine-1-carboxylate
CID 56932106
Tert-butyl 4-((4-hydroxypiperidin-1-yl)methyl)piperidine-1-carboxylate
CID 135396421
1,1-Dimethylethyl 4-fluoro-1,4'-bipiperidine-1'-carboxylate
CID 53419027
(3S)-tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 66612033

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate (CID 155345331) is tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(O)CC2)[C@H](F)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is JKSCYHZTNQNPEG-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-15(2,3)21-14(20)18-9-6-13(12(16)10-18)17-7-4-11(19)5-8-17/h11-13,19H,4-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 302.39 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-fluoro-4-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 155345331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).