tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate

C21H29FN2O4 — CID 110609370

IUPACtert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(c3ccccc3F)C2)CC1
InChIInChI=1S/C21H29FN2O4/c1-21(2,3)28-20(26)23-10-8-15(9-11-23)19(25)24-12-13-27-18(14-24)16-6-4-5-7-17(16)22/h4-7,15,18H,8-14H2,1-3H3
InChIKeySJEMWVOQGTXILK-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.37
Rot. Bonds2

About tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate (PubChem CID 110609370) has the molecular formula C21H29FN2O4 and a molecular weight of 392.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate
PubChem CID110609370
Molecular FormulaC21H29FN2O4
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Nametert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(c3ccccc3F)C2)CC1
InChIInChI=1S/C21H29FN2O4/c1-21(2,3)28-20(26)23-10-8-15(9-11-23)19(25)24-12-13-27-18(14-24)16-6-4-5-7-17(16)22/h4-7,15,18H,8-14H2,1-3H3
InChIKeySJEMWVOQGTXILK-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95174415
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
2-cyclopentyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110416436
tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl 3-(2,6-difluorobenzoyl)pyrrolidine-1-carboxylate
CID 107091983
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate (CID 110609370) is tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOC(c3ccccc3F)C2)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate?
The InChIKey is SJEMWVOQGTXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O4/c1-21(2,3)28-20(26)23-10-8-15(9-11-23)19(25)24-12-13-27-18(14-24)16-6-4-5-7-17(16)22/h4-7,15,18H,8-14H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate has a molecular weight of 392.47 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 110609370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).