4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine

C17H23N3O — CID 114719534

IUPAC4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine
SMILESCOCc1ccccc1-n1cncc1C1(C)CCNCC1
InChIInChI=1S/C17H23N3O/c1-17(7-9-18-10-8-17)16-11-19-13-20(16)15-6-4-3-5-14(15)12-21-2/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyQQCNJUITGIKLLS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds4

About 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine

4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine (PubChem CID 114719534) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine
PubChem CID114719534
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine
SMILESCOCc1ccccc1-n1cncc1C1(C)CCNCC1
InChIInChI=1S/C17H23N3O/c1-17(7-9-18-10-8-17)16-11-19-13-20(16)15-6-4-3-5-14(15)12-21-2/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyQQCNJUITGIKLLS-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine (CID 114719534) is 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine is COCc1ccccc1-n1cncc1C1(C)CCNCC1.
What is the InChIKey of 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine?
The InChIKey is QQCNJUITGIKLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(7-9-18-10-8-17)16-11-19-13-20(16)15-6-4-3-5-14(15)12-21-2/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine?
4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine has a molecular weight of 285.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(methoxymethyl)phenyl]imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114719534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).