4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine

C15H21N3O — CID 114718688

IUPAC4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2CCc2ccco2)CCNCC1
InChIInChI=1S/C15H21N3O/c1-15(5-7-16-8-6-15)14-11-17-12-18(14)9-4-13-3-2-10-19-13/h2-3,10-12,16H,4-9H2,1H3
InChIKeyDLNZZPLZXGFXHX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds4

About 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine

4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine (PubChem CID 114718688) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
PubChem CID114718688
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2CCc2ccco2)CCNCC1
InChIInChI=1S/C15H21N3O/c1-15(5-7-16-8-6-15)14-11-17-12-18(14)9-4-13-3-2-10-19-13/h2-3,10-12,16H,4-9H2,1H3
InChIKeyDLNZZPLZXGFXHX-UHFFFAOYSA-N
XLogP2.36
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine (CID 114718688) is 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine is CC1(c2cncn2CCc2ccco2)CCNCC1.
What is the InChIKey of 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
The InChIKey is DLNZZPLZXGFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(5-7-16-8-6-15)14-11-17-12-18(14)9-4-13-3-2-10-19-13/h2-3,10-12,16H,4-9H2,1H3.
What are the key properties of 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine has a molecular weight of 259.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114718688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).