4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine

C13H23N3O — CID 141130544

IUPAC4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(COc2nccn2C)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)16-7-4-12(5-8-16)10-17-13-14-6-9-15(13)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3
InChIKeyCJTPTOJZVGKESH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine

4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine (PubChem CID 141130544) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine
PubChem CID141130544
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(COc2nccn2C)CC1
InChIInChI=1S/C13H23N3O/c1-11(2)16-7-4-12(5-8-16)10-17-13-14-6-9-15(13)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3
InChIKeyCJTPTOJZVGKESH-UHFFFAOYSA-N
XLogP1.92
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine (CID 141130544) is 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine is CC(C)N1CCC(COc2nccn2C)CC1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine?
The InChIKey is CJTPTOJZVGKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16-7-4-12(5-8-16)10-17-13-14-6-9-15(13)3/h6,9,11-12H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine?
4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine has a molecular weight of 237.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)oxymethyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 141130544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).