2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile

C13H16N2O — CID 27281589

IUPAC2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
SMILESN#CC[C@@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C13H16N2O/c14-7-6-13-11-16-9-8-15(13)10-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2/t13-/m1/s1
InChIKeyWHWNIQPSJZCVPL-CYBMUJFWSA-N
MW216.28 g/mol
LogP1.80
Rot. Bonds3

About 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile

2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile (PubChem CID 27281589) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
PubChem CID27281589
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
SMILESN#CC[C@@H]1COCCN1Cc1ccccc1
InChIInChI=1S/C13H16N2O/c14-7-6-13-11-16-9-8-15(13)10-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2/t13-/m1/s1
InChIKeyWHWNIQPSJZCVPL-CYBMUJFWSA-N
XLogP1.80
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
2-[1-benzyl-6-(cyanomethyl)piperidin-2-yl]acetonitrile
CID 11118591
2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
CID 119034501
(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
CID 16742169
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
CID 124846677

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile?
The IUPAC name of 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile (CID 27281589) is 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile.
What is the SMILES notation for 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile?
The canonical SMILES for 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile is N#CC[C@@H]1COCCN1Cc1ccccc1.
What is the InChIKey of 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile?
The InChIKey is WHWNIQPSJZCVPL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c14-7-6-13-11-16-9-8-15(13)10-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile?
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile has a molecular weight of 216.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile is sourced from PubChem (CID 27281589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).