4-methylidenepiperidine;molecular hydrogen

C6H13N — CID 174882856

IUPAC4-methylidenepiperidine;molecular hydrogen
SMILESC=C1CCNCC1.[H][H]
InChIInChI=1S/C6H11N.H2/c1-6-2-4-7-5-3-6;/h7H,1-5H2;1H
InChIKeySURKTWJYYIIARO-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.17
Rot. Bonds

About 4-methylidenepiperidine;molecular hydrogen

4-methylidenepiperidine;molecular hydrogen (PubChem CID 174882856) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 4-methylidenepiperidine;molecular hydrogen.

Molecular Properties

Compound Name4-methylidenepiperidine;molecular hydrogen
PubChem CID174882856
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name4-methylidenepiperidine;molecular hydrogen
SMILESC=C1CCNCC1.[H][H]
InChIInChI=1S/C6H11N.H2/c1-6-2-4-7-5-3-6;/h7H,1-5H2;1H
InChIKeySURKTWJYYIIARO-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.17
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 4-methylidenepiperidine;molecular hydrogen?
The IUPAC name of 4-methylidenepiperidine;molecular hydrogen (CID 174882856) is 4-methylidenepiperidine;molecular hydrogen.
What is the SMILES notation for 4-methylidenepiperidine;molecular hydrogen?
The canonical SMILES for 4-methylidenepiperidine;molecular hydrogen is C=C1CCNCC1.[H][H].
What is the InChIKey of 4-methylidenepiperidine;molecular hydrogen?
The InChIKey is SURKTWJYYIIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.H2/c1-6-2-4-7-5-3-6;/h7H,1-5H2;1H.
What are the key properties of 4-methylidenepiperidine;molecular hydrogen?
4-methylidenepiperidine;molecular hydrogen has a molecular weight of 99.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepiperidine;molecular hydrogen is sourced from PubChem (CID 174882856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).