(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine

C18H25N3O — CID 154817045

IUPAC(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
SMILESCC[C@@H]1C[C@H](n2ccnc2-c2ccc(OC)cc2C)CCN1
InChIInChI=1S/C18H25N3O/c1-4-14-12-15(7-8-19-14)21-10-9-20-18(21)17-6-5-16(22-3)11-13(17)2/h5-6,9-11,14-15,19H,4,7-8,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyLHOMILOEDLPVIO-HUUCEWRRSA-N
MW299.42 g/mol
LogP3.57
Rot. Bonds4

About (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine

(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine (PubChem CID 154817045) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
PubChem CID154817045
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine
SMILESCC[C@@H]1C[C@H](n2ccnc2-c2ccc(OC)cc2C)CCN1
InChIInChI=1S/C18H25N3O/c1-4-14-12-15(7-8-19-14)21-10-9-20-18(21)17-6-5-16(22-3)11-13(17)2/h5-6,9-11,14-15,19H,4,7-8,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyLHOMILOEDLPVIO-HUUCEWRRSA-N
XLogP3.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine?
The IUPAC name of (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine (CID 154817045) is (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine?
The canonical SMILES for (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine is CC[C@@H]1C[C@H](n2ccnc2-c2ccc(OC)cc2C)CCN1.
What is the InChIKey of (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine?
The InChIKey is LHOMILOEDLPVIO-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-14-12-15(7-8-19-14)21-10-9-20-18(21)17-6-5-16(22-3)11-13(17)2/h5-6,9-11,14-15,19H,4,7-8,12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine?
(2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine has a molecular weight of 299.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-4-[2-(4-methoxy-2-methylphenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 154817045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).