2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine

C14H18N4O — CID 114717855

IUPAC2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
SMILESCC(c1cccnc1)n1cncc1C1CNCCO1
InChIInChI=1S/C14H18N4O/c1-11(12-3-2-4-15-7-12)18-10-17-8-13(18)14-9-16-5-6-19-14/h2-4,7-8,10-11,14,16H,5-6,9H2,1H3
InChIKeyMIACQKCDXSDLOB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.55
Rot. Bonds3

About 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine

2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine (PubChem CID 114717855) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
PubChem CID114717855
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
SMILESCC(c1cccnc1)n1cncc1C1CNCCO1
InChIInChI=1S/C14H18N4O/c1-11(12-3-2-4-15-7-12)18-10-17-8-13(18)14-9-16-5-6-19-14/h2-4,7-8,10-11,14,16H,5-6,9H2,1H3
InChIKeyMIACQKCDXSDLOB-UHFFFAOYSA-N
XLogP1.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
CID 114718480
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine (CID 114717855) is 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine is CC(c1cccnc1)n1cncc1C1CNCCO1.
What is the InChIKey of 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine?
The InChIKey is MIACQKCDXSDLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(12-3-2-4-15-7-12)18-10-17-8-13(18)14-9-16-5-6-19-14/h2-4,7-8,10-11,14,16H,5-6,9H2,1H3.
What are the key properties of 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine?
2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine has a molecular weight of 258.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114717855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).