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

C16H23N3O — CID 74244005

IUPAC1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine
SMILESCc1nccn1CCC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C16H23N3O/c1-14-17-6-10-19(14)9-4-15-2-7-18(8-3-15)12-16-5-11-20-13-16/h5-6,10-11,13,15H,2-4,7-9,12H2,1H3
InChIKeyUHWSOGMGXZQBOZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.09
Rot. Bonds5

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

1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine (PubChem CID 74244005) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine
PubChem CID74244005
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine
SMILESCc1nccn1CCC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C16H23N3O/c1-14-17-6-10-19(14)9-4-15-2-7-18(8-3-15)12-16-5-11-20-13-16/h5-6,10-11,13,15H,2-4,7-9,12H2,1H3
InChIKeyUHWSOGMGXZQBOZ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine (CID 74244005) is 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine is Cc1nccn1CCC1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
The InChIKey is UHWSOGMGXZQBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14-17-6-10-19(14)9-4-15-2-7-18(8-3-15)12-16-5-11-20-13-16/h5-6,10-11,13,15H,2-4,7-9,12H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine?
1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 74244005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).