tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol

C15H28F2N2O4 — CID 160670164

IUPACtert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol
SMILESCC(C)(C)OC(=O)N1CCC(O)C(F)C1.OC1CCNCC1F
InChIInChI=1S/C10H18FNO3.C5H10FNO/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;6-4-3-7-2-1-5(4)8/h7-8,13H,4-6H2,1-3H3;4-5,7-8H,1-3H2
InChIKeyRMVCUHBVXZRBMW-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.00
Rot. Bonds

About tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol

tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol (PubChem CID 160670164) has the molecular formula C15H28F2N2O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol
PubChem CID160670164
Molecular FormulaC15H28F2N2O4
Molecular Weight338.40 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol
SMILESCC(C)(C)OC(=O)N1CCC(O)C(F)C1.OC1CCNCC1F
InChIInChI=1S/C10H18FNO3.C5H10FNO/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;6-4-3-7-2-1-5(4)8/h7-8,13H,4-6H2,1-3H3;4-5,7-8H,1-3H2
InChIKeyRMVCUHBVXZRBMW-UHFFFAOYSA-N
XLogP1.00
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

4-(Piperidin-4-yloxy)-piperidine-1-carboxylic acid t-butyl ester
CID 53407862
(3R,4R)-3-fluoro-4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 156177688
tert-butyl (3R,4R)-3-fluoro-4-(piperidin-4-yloxy)piperidine-1-carboxylate
CID 156187219
Tert-butyl 3-(fluoromethyl)-4-hydroxypiperidine-1-carboxylate;3-(fluoromethyl)piperidin-4-ol;methane;2,2,2-trifluoroacetaldehyde
CID 157512993
Tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methoxypiperidine-1-carboxylate;4-methoxypiperidine;2,2,2-trifluoroacetaldehyde
CID 157656205
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol;2,2,2-trifluoroacetaldehyde
CID 158528091
Tert-butyl 4,4-difluoro-3-hydroxypiperidine-1-carboxylate;4,4-difluoropiperidin-3-ol
CID 159409062
Tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol;methane;2,2,2-trifluoroacetic acid
CID 160887590
Tert-butyl 3',3'-difluoro-4-hydroxy-[1,4'-bipiperidine]-1'-carboxylate
CID 162725814
tert-butyl (5R)-3,3-difluoro-5-(3-hydroxypropylamino)piperidine-1-carboxylate
CID 171523882
Tert-butyl 3,3-difluoro-4-piperidin-4-yloxypiperidine-1-carboxylate
CID 177932752
Tert-butyl 4-[(2,2-difluoro-3-hydroxypropyl)amino]piperidine-1-carboxylate
CID 104857422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol?
The IUPAC name of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol (CID 160670164) is tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol.
What is the SMILES notation for tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol?
The canonical SMILES for tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol is CC(C)(C)OC(=O)N1CCC(O)C(F)C1.OC1CCNCC1F.
What is the InChIKey of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol?
The InChIKey is RMVCUHBVXZRBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3.C5H10FNO/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;6-4-3-7-2-1-5(4)8/h7-8,13H,4-6H2,1-3H3;4-5,7-8H,1-3H2.
What are the key properties of tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol?
tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol has a molecular weight of 338.40 g/mol, XLogP of 1.00, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate;3-fluoropiperidin-4-ol is sourced from PubChem (CID 160670164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).