2-piperidin-2-yl-1,2,3,6-tetrahydropyridine

C10H18N2 — CID 4866678

IUPAC2-piperidin-2-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(C2CCCCN2)NC1
InChIInChI=1S/C10H18N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,3,9-12H,2,4-8H2
InChIKeyMFJVYMMCRUGFHN-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.05
Rot. Bonds1

About 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine

2-piperidin-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 4866678) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-piperidin-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID4866678
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-piperidin-2-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(C2CCCCN2)NC1
InChIInChI=1S/C10H18N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,3,9-12H,2,4-8H2
InChIKeyMFJVYMMCRUGFHN-UHFFFAOYSA-N
XLogP1.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine (CID 4866678) is 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine is C1=CCC(C2CCCCN2)NC1.
What is the InChIKey of 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is MFJVYMMCRUGFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,3,9-12H,2,4-8H2.
What are the key properties of 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine?
2-piperidin-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 4866678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).