1-methyl-3,4-dimethylidenepiperidine

C8H13N — CID 13113543

IUPAC1-methyl-3,4-dimethylidenepiperidine
SMILESC=C1CCN(C)CC1=C
InChIInChI=1S/C8H13N/c1-7-4-5-9(3)6-8(7)2/h1-2,4-6H2,3H3
InChIKeyBEOLHHRFPJWJAU-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.43
Rot. Bonds

About 1-methyl-3,4-dimethylidenepiperidine

1-methyl-3,4-dimethylidenepiperidine (PubChem CID 13113543) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-methyl-3,4-dimethylidenepiperidine.

Molecular Properties

Compound Name1-methyl-3,4-dimethylidenepiperidine
PubChem CID13113543
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-methyl-3,4-dimethylidenepiperidine
SMILESC=C1CCN(C)CC1=C
InChIInChI=1S/C8H13N/c1-7-4-5-9(3)6-8(7)2/h1-2,4-6H2,3H3
InChIKeyBEOLHHRFPJWJAU-UHFFFAOYSA-N
XLogP1.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dimethylidenepiperidine?
The IUPAC name of 1-methyl-3,4-dimethylidenepiperidine (CID 13113543) is 1-methyl-3,4-dimethylidenepiperidine.
What is the SMILES notation for 1-methyl-3,4-dimethylidenepiperidine?
The canonical SMILES for 1-methyl-3,4-dimethylidenepiperidine is C=C1CCN(C)CC1=C.
What is the InChIKey of 1-methyl-3,4-dimethylidenepiperidine?
The InChIKey is BEOLHHRFPJWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-5-9(3)6-8(7)2/h1-2,4-6H2,3H3.
What are the key properties of 1-methyl-3,4-dimethylidenepiperidine?
1-methyl-3,4-dimethylidenepiperidine has a molecular weight of 123.20 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dimethylidenepiperidine is sourced from PubChem (CID 13113543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).