(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine

C12H21N3O — CID 75536200

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
SMILESCN1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-13-11(14-10)9-8-16-6-5-15(9)4/h7,9H,5-6,8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyFISDVPVNJWWWDU-VIFPVBQESA-N
MW223.32 g/mol
LogP1.71
Rot. Bonds1

About (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine (PubChem CID 75536200) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
PubChem CID75536200
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
SMILESCN1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1
InChIInChI=1S/C12H21N3O/c1-12(2,3)10-7-13-11(14-10)9-8-16-6-5-15(9)4/h7,9H,5-6,8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyFISDVPVNJWWWDU-VIFPVBQESA-N
XLogP1.71
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 71694284
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
CID 78151272
(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 175507470
4-methyl-3-(1,3-thiazol-2-yl)morpholine
CID 131131451
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
3-[(5-tert-butyl-1H-imidazol-2-yl)methyl]morpholine
CID 116881149
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 125018734
4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105450
(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(2,2-dimethylpropyl)morpholine
CID 75367151
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
CID 125025974

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine (CID 75536200) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine is CN1CCOC[C@H]1c1ncc(C(C)(C)C)[nH]1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
The InChIKey is FISDVPVNJWWWDU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)10-7-13-11(14-10)9-8-16-6-5-15(9)4/h7,9H,5-6,8H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine is sourced from PubChem (CID 75536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).