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

C12H19NO — CID 23800356

IUPAC4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
SMILESCN1CCC(CCc2ccco2)CC1
InChIInChI=1S/C12H19NO/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2-3,10-11H,4-9H2,1H3
InChIKeyPLEMZDCFUZJMHP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.55
Rot. Bonds3

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

4-[2-(furan-2-yl)ethyl]-1-methylpiperidine (PubChem CID 23800356) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
PubChem CID23800356
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[2-(furan-2-yl)ethyl]-1-methylpiperidine
SMILESCN1CCC(CCc2ccco2)CC1
InChIInChI=1S/C12H19NO/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2-3,10-11H,4-9H2,1H3
InChIKeyPLEMZDCFUZJMHP-UHFFFAOYSA-N
XLogP2.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine?
The IUPAC name of 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine (CID 23800356) is 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine is CN1CCC(CCc2ccco2)CC1.
What is the InChIKey of 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine?
The InChIKey is PLEMZDCFUZJMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine?
4-[2-(furan-2-yl)ethyl]-1-methylpiperidine has a molecular weight of 193.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethyl]-1-methylpiperidine is sourced from PubChem (CID 23800356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).