(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine

C12H22N4O2 — CID 129491465

IUPAC(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine
SMILESCOC[C@@H]1CN(Cc2cnnn2C)CC(C)(C)O1
InChIInChI=1S/C12H22N4O2/c1-12(2)9-16(7-11(18-12)8-17-4)6-10-5-13-14-15(10)3/h5,11H,6-9H2,1-4H3/t11-/m0/s1
InChIKeyZHEKMVHTJODUHS-NSHDSACASA-N
MW254.33 g/mol
LogP0.44
Rot. Bonds4

About (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine

(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine (PubChem CID 129491465) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine
PubChem CID129491465
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine
SMILESCOC[C@@H]1CN(Cc2cnnn2C)CC(C)(C)O1
InChIInChI=1S/C12H22N4O2/c1-12(2)9-16(7-11(18-12)8-17-4)6-10-5-13-14-15(10)3/h5,11H,6-9H2,1-4H3/t11-/m0/s1
InChIKeyZHEKMVHTJODUHS-NSHDSACASA-N
XLogP0.44
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6,6-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976078
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350850
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350849
(6S)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129482791
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128978245
(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 167885794
6-(methoxymethyl)-2,2-dimethyl-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 128978215
(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345524
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129483204
4-[[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]pyridin-2-amine
CID 128975935
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 129345533
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128975934

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine?
The IUPAC name of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine (CID 129491465) is (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine.
What is the SMILES notation for (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine?
The canonical SMILES for (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine is COC[C@@H]1CN(Cc2cnnn2C)CC(C)(C)O1.
What is the InChIKey of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine?
The InChIKey is ZHEKMVHTJODUHS-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2)9-16(7-11(18-12)8-17-4)6-10-5-13-14-15(10)3/h5,11H,6-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine?
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine has a molecular weight of 254.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine is sourced from PubChem (CID 129491465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).