4-ethylidene-1-methylpiperidine

C16H30N2 — CID 142106299

IUPAC4-ethylidene-1-methylpiperidine
SMILESCC=C1CCN(C)CC1.CC=C1CCN(C)CC1
InChIInChI=1S/2C8H15N/c2*1-3-8-4-6-9(2)7-5-8/h2*3H,4-7H2,1-2H3
InChIKeyCGDYTEAFBZOEQZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.32
Rot. Bonds

About 4-ethylidene-1-methylpiperidine

4-ethylidene-1-methylpiperidine (PubChem CID 142106299) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-ethylidene-1-methylpiperidine.

Molecular Properties

Compound Name4-ethylidene-1-methylpiperidine
PubChem CID142106299
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-ethylidene-1-methylpiperidine
SMILESCC=C1CCN(C)CC1.CC=C1CCN(C)CC1
InChIInChI=1S/2C8H15N/c2*1-3-8-4-6-9(2)7-5-8/h2*3H,4-7H2,1-2H3
InChIKeyCGDYTEAFBZOEQZ-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
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 4-ethylidene-1-methylpiperidine?
The IUPAC name of 4-ethylidene-1-methylpiperidine (CID 142106299) is 4-ethylidene-1-methylpiperidine.
What is the SMILES notation for 4-ethylidene-1-methylpiperidine?
The canonical SMILES for 4-ethylidene-1-methylpiperidine is CC=C1CCN(C)CC1.CC=C1CCN(C)CC1.
What is the InChIKey of 4-ethylidene-1-methylpiperidine?
The InChIKey is CGDYTEAFBZOEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N/c2*1-3-8-4-6-9(2)7-5-8/h2*3H,4-7H2,1-2H3.
What are the key properties of 4-ethylidene-1-methylpiperidine?
4-ethylidene-1-methylpiperidine has a molecular weight of 250.43 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1-methylpiperidine is sourced from PubChem (CID 142106299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).