4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine

C12H23N3O — CID 156823798

IUPAC4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine
SMILESCOC[C@@H](C)N1CCN=C1C1CCNCC1
InChIInChI=1S/C12H23N3O/c1-10(9-16-2)15-8-7-14-12(15)11-3-5-13-6-4-11/h10-11,13H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyQBMVBQJIHVUIDL-SNVBAGLBSA-N
MW225.34 g/mol
LogP0.74
Rot. Bonds4

About 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine

4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine (PubChem CID 156823798) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine
PubChem CID156823798
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine
SMILESCOC[C@@H](C)N1CCN=C1C1CCNCC1
InChIInChI=1S/C12H23N3O/c1-10(9-16-2)15-8-7-14-12(15)11-3-5-13-6-4-11/h10-11,13H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyQBMVBQJIHVUIDL-SNVBAGLBSA-N
XLogP0.74
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine?
The IUPAC name of 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine (CID 156823798) is 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine is COC[C@@H](C)N1CCN=C1C1CCNCC1.
What is the InChIKey of 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine?
The InChIKey is QBMVBQJIHVUIDL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(9-16-2)15-8-7-14-12(15)11-3-5-13-6-4-11/h10-11,13H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine?
4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine has a molecular weight of 225.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-1-methoxypropan-2-yl]-4,5-dihydroimidazol-2-yl]piperidine is sourced from PubChem (CID 156823798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).