tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate

C15H27FN2O3 — CID 121290195

IUPACtert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CCOCC2)CC1
InChIInChI=1S/C15H27FN2O3/c1-14(2,3)21-13(19)18-6-4-15(16,5-7-18)12-17-8-10-20-11-9-17/h4-12H2,1-3H3
InChIKeyFHXYZJBGEZRXPX-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate (PubChem CID 121290195) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
PubChem CID121290195
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CCOCC2)CC1
InChIInChI=1S/C15H27FN2O3/c1-14(2,3)21-13(19)18-6-4-15(16,5-7-18)12-17-8-10-20-11-9-17/h4-12H2,1-3H3
InChIKeyFHXYZJBGEZRXPX-UHFFFAOYSA-N
XLogP2.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(chlorooxymethyl)-4-fluoropiperidine-1-carboxylate
CID 70885046
tert-butyl 4-hydroxy-4-[(morpholin-4-ylamino)methyl]piperidine-1-carboxylate
CID 126847247
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl 4-hydroxy-4-(thiomorpholin-4-ylmethyl)piperidine-1-carboxylate
CID 145290232
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxylic acid
CID 103719540
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383
tert-butyl 4-fluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248402
tert-butyl 4-[(1-hydroxycyclohexyl)methyl]piperazine-1-carboxylate
CID 115750820
tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
CID 129023836
tert-butyl 4-[(2,2-dimethylpropanoylamino)methyl]-4-fluoropiperidine-1-carboxylate
CID 165433830
tert-butyl 3-morpholin-4-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 176884220

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate (CID 121290195) is tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(CN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
The InChIKey is FHXYZJBGEZRXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-14(2,3)21-13(19)18-6-4-15(16,5-7-18)12-17-8-10-20-11-9-17/h4-12H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate has a molecular weight of 302.39 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 121290195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).