(3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine

C13H23NO — CID 160887171

IUPAC(3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine
SMILESC=C1CCN(C)C/C1=C/C(CC)OCC
InChIInChI=1S/C13H23NO/c1-5-13(15-6-2)9-12-10-14(4)8-7-11(12)3/h9,13H,3,5-8,10H2,1-2,4H3/b12-9-
InChIKeySNUHQJLMKWQKMM-XFXZXTDPSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds4

About (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine

(3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine (PubChem CID 160887171) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine.

Molecular Properties

Compound Name(3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine
PubChem CID160887171
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine
SMILESC=C1CCN(C)C/C1=C/C(CC)OCC
InChIInChI=1S/C13H23NO/c1-5-13(15-6-2)9-12-10-14(4)8-7-11(12)3/h9,13H,3,5-8,10H2,1-2,4H3/b12-9-
InChIKeySNUHQJLMKWQKMM-XFXZXTDPSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine?
The IUPAC name of (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine (CID 160887171) is (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine.
What is the SMILES notation for (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine?
The canonical SMILES for (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine is C=C1CCN(C)C/C1=C/C(CC)OCC.
What is the InChIKey of (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine?
The InChIKey is SNUHQJLMKWQKMM-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-13(15-6-2)9-12-10-14(4)8-7-11(12)3/h9,13H,3,5-8,10H2,1-2,4H3/b12-9-.
What are the key properties of (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine?
(3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine has a molecular weight of 209.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-ethoxybutylidene)-1-methyl-4-methylidenepiperidine is sourced from PubChem (CID 160887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).