tert-butyl 2-phenylmorpholine-4-carboxylate

C15H21NO3 — CID 58315777

IUPACtert-butyl 2-phenylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-10-18-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyNPFOHOSLAUXAFP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl 2-phenylmorpholine-4-carboxylate

tert-butyl 2-phenylmorpholine-4-carboxylate (PubChem CID 58315777) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 2-phenylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenylmorpholine-4-carboxylate
PubChem CID58315777
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl 2-phenylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-10-18-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeyNPFOHOSLAUXAFP-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561
tert-butyl (7S)-7-(aminomethyl)-6-phenyl-1,4-oxazepane-4-carboxylate
CID 67123288
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
CID 90054409
CID 90054409
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-phenylmorpholine-4-carboxylate (CID 58315777) is tert-butyl 2-phenylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-phenylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-phenylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of tert-butyl 2-phenylmorpholine-4-carboxylate?
The InChIKey is NPFOHOSLAUXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-10-18-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of tert-butyl 2-phenylmorpholine-4-carboxylate?
tert-butyl 2-phenylmorpholine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenylmorpholine-4-carboxylate is sourced from PubChem (CID 58315777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).