3-methylidenepiperidine

C6H11N — CID 10796703

IUPAC3-methylidenepiperidine
SMILESC=C1CCCNC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h7H,1-5H2
InChIKeyDMICIZVPSKKBDO-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.93
Rot. Bonds

About 3-methylidenepiperidine

3-methylidenepiperidine (PubChem CID 10796703) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methylidenepiperidine.

Molecular Properties

Compound Name3-methylidenepiperidine
PubChem CID10796703
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methylidenepiperidine
SMILESC=C1CCCNC1
InChIInChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h7H,1-5H2
InChIKeyDMICIZVPSKKBDO-UHFFFAOYSA-N
XLogP0.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
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 3-methylidenepiperidine?
The IUPAC name of 3-methylidenepiperidine (CID 10796703) is 3-methylidenepiperidine.
What is the SMILES notation for 3-methylidenepiperidine?
The canonical SMILES for 3-methylidenepiperidine is C=C1CCCNC1.
What is the InChIKey of 3-methylidenepiperidine?
The InChIKey is DMICIZVPSKKBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h7H,1-5H2.
What are the key properties of 3-methylidenepiperidine?
3-methylidenepiperidine has a molecular weight of 97.16 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepiperidine is sourced from PubChem (CID 10796703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).