(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine

C15H23NO — CID 10944360

IUPAC(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine
SMILESCC(C)=CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C
InChIInChI=1S/C15H23NO/c1-11(2)4-6-14-12(3)5-7-15(16-14)13-8-9-17-10-13/h4,8-10,12,14-16H,5-7H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyWUDDGBDUMAQJQV-SNPRPXQTSA-N
MW233.36 g/mol
LogP4.07
Rot. Bonds3

About (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine

(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine (PubChem CID 10944360) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine.

Molecular Properties

Compound Name(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine
PubChem CID10944360
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine
SMILESCC(C)=CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C
InChIInChI=1S/C15H23NO/c1-11(2)4-6-14-12(3)5-7-15(16-14)13-8-9-17-10-13/h4,8-10,12,14-16H,5-7H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyWUDDGBDUMAQJQV-SNPRPXQTSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine?
The IUPAC name of (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine (CID 10944360) is (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine.
What is the SMILES notation for (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine?
The canonical SMILES for (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine is CC(C)=CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C.
What is the InChIKey of (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine?
The InChIKey is WUDDGBDUMAQJQV-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)4-6-14-12(3)5-7-15(16-14)13-8-9-17-10-13/h4,8-10,12,14-16H,5-7H2,1-3H3/t12-,14+,15+/m1/s1.
What are the key properties of (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine?
(2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine has a molecular weight of 233.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-(furan-3-yl)-3-methyl-2-(3-methylbut-2-enyl)piperidine is sourced from PubChem (CID 10944360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).