tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate

C14H25FN2O3 — CID 68671388

IUPACtert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCOCC2)C(F)C1
InChIInChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-5-4-12(11(15)10-17)16-6-8-19-9-7-16/h11-12H,4-10H2,1-3H3
InChIKeyMKCNDWNZXHLMKT-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate

tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate (PubChem CID 68671388) has the molecular formula C14H25FN2O3 and a molecular weight of 288.36 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate
PubChem CID68671388
Molecular FormulaC14H25FN2O3
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nametert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCOCC2)C(F)C1
InChIInChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-5-4-12(11(15)10-17)16-6-8-19-9-7-16/h11-12H,4-10H2,1-3H3
InChIKeyMKCNDWNZXHLMKT-UHFFFAOYSA-N
XLogP1.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4,4-difluoro-[1,4'-bipiperidine]-1'-carboxylate
CID 53419022
1,1-Dimethylethyl 4-fluoro-1,4'-bipiperidine-1'-carboxylate
CID 53419027
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
1,1-Dimethylethyl 4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 59452688
tert-Butyl 3,3-difluoro-[1,4'-bipiperidine]-1'-carboxylate
CID 118295282
tert-butyl (3S,4R)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate
CID 118406809
tert-butyl 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropiperidine-1-carboxylate
CID 118407423
Tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-Butyl 3',3'-difluoro-[1,4'-bipiperidine]-1'-carboxylate
CID 129320021
tert-butyl (2S)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate
CID 134168094
tert-butyl (2R)-2-(1-fluoroethoxymethyl)piperidine-1-carboxylate
CID 134168099

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate (CID 68671388) is tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCOCC2)C(F)C1.
What is the InChIKey of tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate?
The InChIKey is MKCNDWNZXHLMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-5-4-12(11(15)10-17)16-6-8-19-9-7-16/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate?
tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate has a molecular weight of 288.36 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylate is sourced from PubChem (CID 68671388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).