(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile

C13H16N2O — CID 71421335

IUPAC(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
SMILESC[C@H](c1ccccc1)N1CCO[C@@H](C#N)C1
InChIInChI=1S/C13H16N2O/c1-11(12-5-3-2-4-6-12)15-7-8-16-13(9-14)10-15/h2-6,11,13H,7-8,10H2,1H3/t11-,13+/m1/s1
InChIKeyKSRYMXVTXHDXOC-YPMHNXCESA-N
MW216.28 g/mol
LogP1.97
Rot. Bonds2

About (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile

(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile (PubChem CID 71421335) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
PubChem CID71421335
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
SMILESC[C@H](c1ccccc1)N1CCO[C@@H](C#N)C1
InChIInChI=1S/C13H16N2O/c1-11(12-5-3-2-4-6-12)15-7-8-16-13(9-14)10-15/h2-6,11,13H,7-8,10H2,1H3/t11-,13+/m1/s1
InChIKeyKSRYMXVTXHDXOC-YPMHNXCESA-N
XLogP1.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
CID 79664099
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 67352997
4-phenylmorpholine-2-carbonitrile
CID 67651414
4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile
CID 79674167
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
4-[(2S)-2-amino-2-phenylacetyl]morpholine-2-carbonitrile
CID 104898120
4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
CID 79674361
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile?
The IUPAC name of (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile (CID 71421335) is (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile.
What is the SMILES notation for (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile?
The canonical SMILES for (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile is C[C@H](c1ccccc1)N1CCO[C@@H](C#N)C1.
What is the InChIKey of (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile?
The InChIKey is KSRYMXVTXHDXOC-YPMHNXCESA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(12-5-3-2-4-6-12)15-7-8-16-13(9-14)10-15/h2-6,11,13H,7-8,10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile?
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile is sourced from PubChem (CID 71421335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).