3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine

C14H19N3O — CID 114704110

IUPAC3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
SMILESCC(c1ccco1)n1cncc1C1CCCNC1
InChIInChI=1S/C14H19N3O/c1-11(14-5-3-7-18-14)17-10-16-9-13(17)12-4-2-6-15-8-12/h3,5,7,9-12,15H,2,4,6,8H2,1H3
InChIKeyBVJYSIXIRPYIHL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.55
Rot. Bonds3

About 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine

3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114704110) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
PubChem CID114704110
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
SMILESCC(c1ccco1)n1cncc1C1CCCNC1
InChIInChI=1S/C14H19N3O/c1-11(14-5-3-7-18-14)17-10-16-9-13(17)12-4-2-6-15-8-12/h3,5,7,9-12,15H,2,4,6,8H2,1H3
InChIKeyBVJYSIXIRPYIHL-UHFFFAOYSA-N
XLogP2.55
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
CID 114705230
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
CID 114707115
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
3-(3-butylimidazol-4-yl)piperidine
CID 114702793

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine (CID 114704110) is 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine is CC(c1ccco1)n1cncc1C1CCCNC1.
What is the InChIKey of 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is BVJYSIXIRPYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(14-5-3-7-18-14)17-10-16-9-13(17)12-4-2-6-15-8-12/h3,5,7,9-12,15H,2,4,6,8H2,1H3.
What are the key properties of 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine?
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 245.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).