5-isocyano-2-(1-piperidin-1-ylethyl)pyridine

C13H17N3 — CID 59019275

IUPAC5-isocyano-2-(1-piperidin-1-ylethyl)pyridine
SMILES[C-]#[N+]c1ccc(C(C)N2CCCCC2)nc1
InChIInChI=1S/C13H17N3/c1-11(16-8-4-3-5-9-16)13-7-6-12(14-2)10-15-13/h6-7,10-11H,3-5,8-9H2,1H3
InChIKeyUESYEHLHAFMQSW-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.18
Rot. Bonds2

About 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine

5-isocyano-2-(1-piperidin-1-ylethyl)pyridine (PubChem CID 59019275) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine.

Molecular Properties

Compound Name5-isocyano-2-(1-piperidin-1-ylethyl)pyridine
PubChem CID59019275
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-isocyano-2-(1-piperidin-1-ylethyl)pyridine
SMILES[C-]#[N+]c1ccc(C(C)N2CCCCC2)nc1
InChIInChI=1S/C13H17N3/c1-11(16-8-4-3-5-9-16)13-7-6-12(14-2)10-15-13/h6-7,10-11H,3-5,8-9H2,1H3
InChIKeyUESYEHLHAFMQSW-UHFFFAOYSA-N
XLogP3.18
TPSA20.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine?
The IUPAC name of 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine (CID 59019275) is 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine.
What is the SMILES notation for 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine?
The canonical SMILES for 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine is [C-]#[N+]c1ccc(C(C)N2CCCCC2)nc1.
What is the InChIKey of 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine?
The InChIKey is UESYEHLHAFMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(16-8-4-3-5-9-16)13-7-6-12(14-2)10-15-13/h6-7,10-11H,3-5,8-9H2,1H3.
What are the key properties of 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine?
5-isocyano-2-(1-piperidin-1-ylethyl)pyridine has a molecular weight of 215.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isocyano-2-(1-piperidin-1-ylethyl)pyridine is sourced from PubChem (CID 59019275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).