4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine

C13H23N3O2 — CID 90648579

IUPAC4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine
SMILESCOCCOC1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C13H23N3O2/c1-15-11-14-9-12(15)10-16-5-3-13(4-6-16)18-8-7-17-2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyPSIVRSNPCJKSPY-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.05
Rot. Bonds6

About 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine

4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine (PubChem CID 90648579) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine
PubChem CID90648579
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine
SMILESCOCCOC1CCN(Cc2cncn2C)CC1
InChIInChI=1S/C13H23N3O2/c1-15-11-14-9-12(15)10-16-5-3-13(4-6-16)18-8-7-17-2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyPSIVRSNPCJKSPY-UHFFFAOYSA-N
XLogP1.05
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine (CID 90648579) is 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine is COCCOC1CCN(Cc2cncn2C)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine?
The InChIKey is PSIVRSNPCJKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15-11-14-9-12(15)10-16-5-3-13(4-6-16)18-8-7-17-2/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine?
4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine has a molecular weight of 253.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-[(3-methylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 90648579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).