methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate

C15H18N2O3 — CID 104775045

IUPACmethyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(CC#N)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-19-15(18)14-11-20-10-9-17(14)13(7-8-16)12-5-3-2-4-6-12/h2-6,13-14H,7,9-11H2,1H3
InChIKeyHAVBBIXRVWJJTI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.52
Rot. Bonds4

About methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate

methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate (PubChem CID 104775045) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate
PubChem CID104775045
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(CC#N)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-19-15(18)14-11-20-10-9-17(14)13(7-8-16)12-5-3-2-4-6-12/h2-6,13-14H,7,9-11H2,1H3
InChIKeyHAVBBIXRVWJJTI-UHFFFAOYSA-N
XLogP1.52
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-cyano-1-phenylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971462
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-(2-cyanopropyl)morpholine-3-carboxylate
CID 104774976
4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83097793
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
methyl 4-(2-cyano-3-pyridinyl)morpholine-3-carboxylate
CID 104774614
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate (CID 104775045) is methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(CC#N)c1ccccc1.
What is the InChIKey of methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate?
The InChIKey is HAVBBIXRVWJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-15(18)14-11-20-10-9-17(14)13(7-8-16)12-5-3-2-4-6-12/h2-6,13-14H,7,9-11H2,1H3.
What are the key properties of methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate?
methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyano-1-phenylethyl)morpholine-3-carboxylate is sourced from PubChem (CID 104775045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).