(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol

C12H21N3O2 — CID 114272649

IUPAC(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCC(C)N1CCOC(C(O)c2cn(C)cn2)C1
InChIInChI=1S/C12H21N3O2/c1-9(2)15-4-5-17-11(7-15)12(16)10-6-14(3)8-13-10/h6,8-9,11-12,16H,4-5,7H2,1-3H3
InChIKeyAKCVIIHQVSDLNP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.56
Rot. Bonds3

About (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol

(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol (PubChem CID 114272649) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
PubChem CID114272649
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
SMILESCC(C)N1CCOC(C(O)c2cn(C)cn2)C1
InChIInChI=1S/C12H21N3O2/c1-9(2)15-4-5-17-11(7-15)12(16)10-6-14(3)8-13-10/h6,8-9,11-12,16H,4-5,7H2,1-3H3
InChIKeyAKCVIIHQVSDLNP-UHFFFAOYSA-N
XLogP0.56
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79663304
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
(4-propan-2-ylmorpholin-2-yl)-quinolin-3-ylmethanol
CID 79665158
(3-methylthiophen-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79988126
(2,3-difluoro-4-methylphenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 107512959
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 106762104
2-(1-methylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetic acid
CID 84742959
(1,4-dimethyl-1,4-diazepan-2-yl)-(1-methylimidazol-4-yl)methanol
CID 114272651
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
[(4-propan-2-ylmorpholin-2-yl)-pyrazin-2-ylmethyl]hydrazine
CID 105248200
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The IUPAC name of (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol (CID 114272649) is (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol.
What is the SMILES notation for (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The canonical SMILES for (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol is CC(C)N1CCOC(C(O)c2cn(C)cn2)C1.
What is the InChIKey of (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
The InChIKey is AKCVIIHQVSDLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)15-4-5-17-11(7-15)12(16)10-6-14(3)8-13-10/h6,8-9,11-12,16H,4-5,7H2,1-3H3.
What are the key properties of (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol?
(1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol has a molecular weight of 239.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(4-propan-2-ylmorpholin-2-yl)methanol is sourced from PubChem (CID 114272649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).