4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine

C16H23N3O — CID 142640348

IUPAC4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2nccn2CCc2ccco2)CC1
InChIInChI=1S/C16H23N3O/c1-18-8-4-14(5-9-18)13-16-17-7-11-19(16)10-6-15-3-2-12-20-15/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3
InChIKeyUMRPJGRZXHPVNK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.60
Rot. Bonds5

About 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine

4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine (PubChem CID 142640348) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
PubChem CID142640348
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2nccn2CCc2ccco2)CC1
InChIInChI=1S/C16H23N3O/c1-18-8-4-14(5-9-18)13-16-17-7-11-19(16)10-6-15-3-2-12-20-15/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3
InChIKeyUMRPJGRZXHPVNK-UHFFFAOYSA-N
XLogP2.60
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine (CID 142640348) is 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine is CN1CCC(Cc2nccn2CCc2ccco2)CC1.
What is the InChIKey of 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine?
The InChIKey is UMRPJGRZXHPVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-8-4-14(5-9-18)13-16-17-7-11-19(16)10-6-15-3-2-12-20-15/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3.
What are the key properties of 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine?
4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine has a molecular weight of 273.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 142640348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).