(3E)-3-ethylidene-1-methylpiperidine

C8H15N — CID 59740451

IUPAC(3E)-3-ethylidene-1-methylpiperidine
SMILESC/C=C1\CCCN(C)C1
InChIInChI=1S/C8H15N/c1-3-8-5-4-6-9(2)7-8/h3H,4-7H2,1-2H3/b8-3+
InChIKeyGVLDSFGHPASEGF-FPYGCLRLSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds

About (3E)-3-ethylidene-1-methylpiperidine

(3E)-3-ethylidene-1-methylpiperidine (PubChem CID 59740451) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3E)-3-ethylidene-1-methylpiperidine.

Molecular Properties

Compound Name(3E)-3-ethylidene-1-methylpiperidine
PubChem CID59740451
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3E)-3-ethylidene-1-methylpiperidine
SMILESC/C=C1\CCCN(C)C1
InChIInChI=1S/C8H15N/c1-3-8-5-4-6-9(2)7-8/h3H,4-7H2,1-2H3/b8-3+
InChIKeyGVLDSFGHPASEGF-FPYGCLRLSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3E)-3-ethylidene-1-methylpiperidine?
The IUPAC name of (3E)-3-ethylidene-1-methylpiperidine (CID 59740451) is (3E)-3-ethylidene-1-methylpiperidine.
What is the SMILES notation for (3E)-3-ethylidene-1-methylpiperidine?
The canonical SMILES for (3E)-3-ethylidene-1-methylpiperidine is C/C=C1\CCCN(C)C1.
What is the InChIKey of (3E)-3-ethylidene-1-methylpiperidine?
The InChIKey is GVLDSFGHPASEGF-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-5-4-6-9(2)7-8/h3H,4-7H2,1-2H3/b8-3+.
What are the key properties of (3E)-3-ethylidene-1-methylpiperidine?
(3E)-3-ethylidene-1-methylpiperidine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1-methylpiperidine is sourced from PubChem (CID 59740451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).