(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine

C12H19NO — CID 95566888

IUPAC(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine
SMILESCCc1ccc([C@@H]2C[C@@H](C)CCN2)o1
InChIInChI=1S/C12H19NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h4-5,9,11,13H,3,6-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyTVXUKQIKMWSFQP-ONGXEEELSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds2

About (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine

(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine (PubChem CID 95566888) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine
PubChem CID95566888
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine
SMILESCCc1ccc([C@@H]2C[C@@H](C)CCN2)o1
InChIInChI=1S/C12H19NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h4-5,9,11,13H,3,6-8H2,1-2H3/t9-,11-/m0/s1
InChIKeyTVXUKQIKMWSFQP-ONGXEEELSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine?
The IUPAC name of (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine (CID 95566888) is (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine.
What is the SMILES notation for (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine?
The canonical SMILES for (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine is CCc1ccc([C@@H]2C[C@@H](C)CCN2)o1.
What is the InChIKey of (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine?
The InChIKey is TVXUKQIKMWSFQP-ONGXEEELSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h4-5,9,11,13H,3,6-8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine?
(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine has a molecular weight of 193.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidine is sourced from PubChem (CID 95566888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).