methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate

C15H21NO4 — CID 104775007

IUPACmethyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(18,12-6-4-3-5-7-12)11-16-8-9-20-10-13(16)14(17)19-2/h3-7,13,18H,8-11H2,1-2H3
InChIKeyNBOXWQKEYOMSNT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.77
Rot. Bonds4

About methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate

methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate (PubChem CID 104775007) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
PubChem CID104775007
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1CC(C)(O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(18,12-6-4-3-5-7-12)11-16-8-9-20-10-13(16)14(17)19-2/h3-7,13,18H,8-11H2,1-2H3
InChIKeyNBOXWQKEYOMSNT-UHFFFAOYSA-N
XLogP0.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 4-(1-benzothiophen-3-ylmethyl)morpholine-3-carboxylate
CID 115670568
methyl 2-[4-(2-hydroxy-2-phenylpropyl)morpholin-2-yl]acetate
CID 79827517
methyl 4-(2-thiophen-2-ylethyl)morpholine-3-carboxylate
CID 115670411
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(6-methoxy-2-pyridinyl)methyl]morpholine-3-carboxylate
CID 113247750
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate (CID 104775007) is methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate is COC(=O)C1COCCN1CC(C)(O)c1ccccc1.
What is the InChIKey of methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate?
The InChIKey is NBOXWQKEYOMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(18,12-6-4-3-5-7-12)11-16-8-9-20-10-13(16)14(17)19-2/h3-7,13,18H,8-11H2,1-2H3.
What are the key properties of methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate?
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate is sourced from PubChem (CID 104775007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).