2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine

C13H21NO — CID 130495164

IUPAC2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
SMILESCCC1CCNC(c2cc(C)c(C)o2)C1
InChIInChI=1S/C13H21NO/c1-4-11-5-6-14-12(8-11)13-7-9(2)10(3)15-13/h7,11-12,14H,4-6,8H2,1-3H3
InChIKeySBKWCWZPWOSPCH-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.35
Rot. Bonds2

About 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine

2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine (PubChem CID 130495164) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine.

Molecular Properties

Compound Name2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
PubChem CID130495164
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
SMILESCCC1CCNC(c2cc(C)c(C)o2)C1
InChIInChI=1S/C13H21NO/c1-4-11-5-6-14-12(8-11)13-7-9(2)10(3)15-13/h7,11-12,14H,4-6,8H2,1-3H3
InChIKeySBKWCWZPWOSPCH-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine?
The IUPAC name of 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine (CID 130495164) is 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine.
What is the SMILES notation for 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine?
The canonical SMILES for 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine is CCC1CCNC(c2cc(C)c(C)o2)C1.
What is the InChIKey of 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine?
The InChIKey is SBKWCWZPWOSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-5-6-14-12(8-11)13-7-9(2)10(3)15-13/h7,11-12,14H,4-6,8H2,1-3H3.
What are the key properties of 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine?
2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine is sourced from PubChem (CID 130495164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).