(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine

C13H23N3O — CID 57155907

IUPAC(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
SMILESCCOCCn1ccnc1[C@@H]1CCCN(C)C1
InChIInChI=1S/C13H23N3O/c1-3-17-10-9-16-8-6-14-13(16)12-5-4-7-15(2)11-12/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyNYFFZUFJSUGXPE-GFCCVEGCSA-N
MW237.35 g/mol
LogP1.73
Rot. Bonds5

About (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine

(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine (PubChem CID 57155907) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
PubChem CID57155907
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine
SMILESCCOCCn1ccnc1[C@@H]1CCCN(C)C1
InChIInChI=1S/C13H23N3O/c1-3-17-10-9-16-8-6-14-13(16)12-5-4-7-15(2)11-12/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m1/s1
InChIKeyNYFFZUFJSUGXPE-GFCCVEGCSA-N
XLogP1.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
The IUPAC name of (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine (CID 57155907) is (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine.
What is the SMILES notation for (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
The canonical SMILES for (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine is CCOCCn1ccnc1[C@@H]1CCCN(C)C1.
What is the InChIKey of (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
The InChIKey is NYFFZUFJSUGXPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-17-10-9-16-8-6-14-13(16)12-5-4-7-15(2)11-12/h6,8,12H,3-5,7,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine?
(3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine has a molecular weight of 237.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(2-ethoxyethyl)imidazol-2-yl]-1-methylpiperidine is sourced from PubChem (CID 57155907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).