(2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine

C12H17NO — CID 146163816

IUPAC(2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine
SMILESC=C[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C
InChIInChI=1S/C12H17NO/c1-3-11-9(2)4-5-12(13-11)10-6-7-14-8-10/h3,6-9,11-13H,1,4-5H2,2H3/t9-,11+,12+/m1/s1
InChIKeyYZBWWQZXHPTMFR-USWWRNFRSA-N
MW191.27 g/mol
LogP2.89
Rot. Bonds2

About (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine

(2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine (PubChem CID 146163816) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine.

Molecular Properties

Compound Name(2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine
PubChem CID146163816
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine
SMILESC=C[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C
InChIInChI=1S/C12H17NO/c1-3-11-9(2)4-5-12(13-11)10-6-7-14-8-10/h3,6-9,11-13H,1,4-5H2,2H3/t9-,11+,12+/m1/s1
InChIKeyYZBWWQZXHPTMFR-USWWRNFRSA-N
XLogP2.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.89
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)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine?
The IUPAC name of (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine (CID 146163816) is (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine.
What is the SMILES notation for (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine?
The canonical SMILES for (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine is C=C[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C.
What is the InChIKey of (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine?
The InChIKey is YZBWWQZXHPTMFR-USWWRNFRSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11-9(2)4-5-12(13-11)10-6-7-14-8-10/h3,6-9,11-13H,1,4-5H2,2H3/t9-,11+,12+/m1/s1.
What are the key properties of (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine?
(2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine has a molecular weight of 191.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-2-ethenyl-6-(furan-3-yl)-3-methylpiperidine is sourced from PubChem (CID 146163816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).