(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile

C13H16N2O — CID 118407215

IUPAC(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C#N)O1
InChIInChI=1S/C13H16N2O/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3/t11-,13+/m1/s1
InChIKeyCFPNZEFGACMFGY-YPMHNXCESA-N
MW216.28 g/mol
LogP1.80
Rot. Bonds2

About (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile

(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile (PubChem CID 118407215) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile
PubChem CID118407215
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H](C#N)O1
InChIInChI=1S/C13H16N2O/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3/t11-,13+/m1/s1
InChIKeyCFPNZEFGACMFGY-YPMHNXCESA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
Morpholino(phenyl)acetonitrile
CID 85812
4-(3-Phenylpropyl)morpholine
CID 782728
Thiobenzoylmorpholine
CID 16244
4-((Morpholin-4-yl)methyl)benzonitrile
CID 216864
Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
N-benzyl-N-methylmorpholine-4-carboxamide
CID 669645
2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
10-Benzyl-1,4,7-trioxa-10-azacyclododecane
CID 766194
Dimorpholinophenylmethane
CID 80899
3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
4-Benzylmorpholine
CID 249546

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile?
The IUPAC name of (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile (CID 118407215) is (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile.
What is the SMILES notation for (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile?
The canonical SMILES for (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile is C[C@@H]1CN(Cc2ccccc2)C[C@H](C#N)O1.
What is the InChIKey of (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile?
The InChIKey is CFPNZEFGACMFGY-YPMHNXCESA-N. The full InChI is InChI=1S/C13H16N2O/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile?
(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile is sourced from PubChem (CID 118407215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).