(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile

C13H16N2O — CID 124711957

IUPAC(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
SMILESC[C@H]1CN([C@H](C#N)c2ccccc2)CCO1
InChIInChI=1S/C13H16N2O/c1-11-10-15(7-8-16-11)13(9-14)12-5-3-2-4-6-12/h2-6,11,13H,7-8,10H2,1H3/t11-,13+/m0/s1
InChIKeyUEJKQBLZUFCIBA-WCQYABFASA-N
MW216.28 g/mol
LogP1.97
Rot. Bonds2

About (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile

(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile (PubChem CID 124711957) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
PubChem CID124711957
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
SMILESC[C@H]1CN([C@H](C#N)c2ccccc2)CCO1
InChIInChI=1S/C13H16N2O/c1-11-10-15(7-8-16-11)13(9-14)12-5-3-2-4-6-12/h2-6,11,13H,7-8,10H2,1H3/t11-,13+/m0/s1
InChIKeyUEJKQBLZUFCIBA-WCQYABFASA-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

Morpholino(phenyl)acetonitrile
CID 85812
2-Phenyl-2-piperidinoacetonitrile
CID 21989
4-((Morpholin-4-yl)methyl)benzonitrile
CID 216864
2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
4-Benzylmorpholine
CID 249546
4-Benzylmorpholine hydrochloride
CID 2849468
Mls002638304
CID 224580
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
4-Benzylmorpholine-2-carbonitrile
CID 15651195
4-(2-Phenylethyl)morpholine
CID 411956

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile?
The IUPAC name of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile (CID 124711957) is (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile is C[C@H]1CN([C@H](C#N)c2ccccc2)CCO1.
What is the InChIKey of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile?
The InChIKey is UEJKQBLZUFCIBA-WCQYABFASA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-10-15(7-8-16-11)13(9-14)12-5-3-2-4-6-12/h2-6,11,13H,7-8,10H2,1H3/t11-,13+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile?
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile 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 (2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile is sourced from PubChem (CID 124711957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).