3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol

C12H21N3O2 — CID 114529802

IUPAC3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
SMILESCN1CCOC(C(O)CCc2nccn2C)C1
InChIInChI=1S/C12H21N3O2/c1-14-7-8-17-11(9-14)10(16)3-4-12-13-5-6-15(12)2/h5-6,10-11,16H,3-4,7-9H2,1-2H3
InChIKeyYQAFARQOQJVBAU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.04
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol

3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol (PubChem CID 114529802) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
PubChem CID114529802
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
SMILESCN1CCOC(C(O)CCc2nccn2C)C1
InChIInChI=1S/C12H21N3O2/c1-14-7-8-17-11(9-14)10(16)3-4-12-13-5-6-15(12)2/h5-6,10-11,16H,3-4,7-9H2,1-2H3
InChIKeyYQAFARQOQJVBAU-UHFFFAOYSA-N
XLogP0.04
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-1-(oxan-2-yl)propan-1-ol
CID 115838015
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529846
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529815
1-(6-bicyclo[3.1.0]hexanyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837979
[(1-methylimidazol-2-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244400
N-methyl-3-(1-methylimidazol-2-yl)-1-(4-propylmorpholin-2-yl)propan-1-amine
CID 114530511
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106600974
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
1-cyclohex-3-en-1-yl-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529132
4,4-dimethyl-1-(4-methylmorpholin-2-yl)pentan-1-ol
CID 79087851

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol (CID 114529802) is 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol is CN1CCOC(C(O)CCc2nccn2C)C1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
The InChIKey is YQAFARQOQJVBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-7-8-17-11(9-14)10(16)3-4-12-13-5-6-15(12)2/h5-6,10-11,16H,3-4,7-9H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol?
3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol is sourced from PubChem (CID 114529802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).