1-(furan-3-ylmethyl)-4-methylpiperidine

C11H17NO — CID 121401187

IUPAC1-(furan-3-ylmethyl)-4-methylpiperidine
SMILESCC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C11H17NO/c1-10-2-5-12(6-3-10)8-11-4-7-13-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyGVUOIMZNCGWHCP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.51
Rot. Bonds2

About 1-(furan-3-ylmethyl)-4-methylpiperidine

1-(furan-3-ylmethyl)-4-methylpiperidine (PubChem CID 121401187) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-methylpiperidine
PubChem CID121401187
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(furan-3-ylmethyl)-4-methylpiperidine
SMILESCC1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C11H17NO/c1-10-2-5-12(6-3-10)8-11-4-7-13-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyGVUOIMZNCGWHCP-UHFFFAOYSA-N
XLogP2.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-methylpiperidine?
The IUPAC name of 1-(furan-3-ylmethyl)-4-methylpiperidine (CID 121401187) is 1-(furan-3-ylmethyl)-4-methylpiperidine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-methylpiperidine?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-methylpiperidine is CC1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-methylpiperidine?
The InChIKey is GVUOIMZNCGWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-2-5-12(6-3-10)8-11-4-7-13-9-11/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-4-methylpiperidine?
1-(furan-3-ylmethyl)-4-methylpiperidine has a molecular weight of 179.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-methylpiperidine is sourced from PubChem (CID 121401187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).