1-methyl-3-methylidenepiperidine

C7H13N — CID 15656059

IUPAC1-methyl-3-methylidenepiperidine
SMILESC=C1CCCN(C)C1
InChIInChI=1S/C7H13N/c1-7-4-3-5-8(2)6-7/h1,3-6H2,2H3
InChIKeyOUKGYFNHAKOXRQ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds

About 1-methyl-3-methylidenepiperidine

1-methyl-3-methylidenepiperidine (PubChem CID 15656059) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-methyl-3-methylidenepiperidine.

Molecular Properties

Compound Name1-methyl-3-methylidenepiperidine
PubChem CID15656059
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-methyl-3-methylidenepiperidine
SMILESC=C1CCCN(C)C1
InChIInChI=1S/C7H13N/c1-7-4-3-5-8(2)6-7/h1,3-6H2,2H3
InChIKeyOUKGYFNHAKOXRQ-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.27
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 1-methyl-3-methylidenepiperidine?
The IUPAC name of 1-methyl-3-methylidenepiperidine (CID 15656059) is 1-methyl-3-methylidenepiperidine.
What is the SMILES notation for 1-methyl-3-methylidenepiperidine?
The canonical SMILES for 1-methyl-3-methylidenepiperidine is C=C1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-methylidenepiperidine?
The InChIKey is OUKGYFNHAKOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-4-3-5-8(2)6-7/h1,3-6H2,2H3.
What are the key properties of 1-methyl-3-methylidenepiperidine?
1-methyl-3-methylidenepiperidine has a molecular weight of 111.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenepiperidine is sourced from PubChem (CID 15656059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).