(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile

C20H22N2O2 — CID 130274489

IUPAC(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccccc2)C[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C20H22N2O2/c21-11-19-13-22(12-17-7-3-1-4-8-17)14-20(24-19)16-23-15-18-9-5-2-6-10-18/h1-10,19-20H,12-16H2/t19?,20-/m0/s1
InChIKeyYYROWVXWVPAQJW-ANYOKISRSA-N
MW322.41 g/mol
LogP3.00
Rot. Bonds6

About (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile

(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile (PubChem CID 130274489) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile
PubChem CID130274489
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccccc2)C[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C20H22N2O2/c21-11-19-13-22(12-17-7-3-1-4-8-17)14-20(24-19)16-23-15-18-9-5-2-6-10-18/h1-10,19-20H,12-16H2/t19?,20-/m0/s1
InChIKeyYYROWVXWVPAQJW-ANYOKISRSA-N
XLogP3.00
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
1-benzylazetidine-3-carbonitrile
CID 19814762
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[(2S,6R)-4-benzyl-6-[2-(6-phenylmethoxy-2-pyridinyl)ethynyl]morpholin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 140800831
4-[2-[(2R,6S)-4-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-2-yl]ethynyl]-2-methoxypyridin-3-amine
CID 140800854
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
CID 171373496
4,5-dimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2-carbonitrile
CID 121355445
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247

Frequently Asked Questions

What is the IUPAC name of (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile?
The IUPAC name of (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile (CID 130274489) is (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile.
What is the SMILES notation for (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile?
The canonical SMILES for (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile is N#CC1CN(Cc2ccccc2)C[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile?
The InChIKey is YYROWVXWVPAQJW-ANYOKISRSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-11-19-13-22(12-17-7-3-1-4-8-17)14-20(24-19)16-23-15-18-9-5-2-6-10-18/h1-10,19-20H,12-16H2/t19?,20-/m0/s1.
What are the key properties of (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile?
(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 130274489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).