4-piperidin-4-yl-1,2,3,6-tetrahydropyridine

C10H18N2 — CID 5231471

IUPAC4-piperidin-4-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(C2CCNCC2)CCNC1
InChIInChI=1S/C10H18N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1,10-12H,2-8H2
InChIKeyVLJPTOSWVGRETM-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.91
Rot. Bonds1

About 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine

4-piperidin-4-yl-1,2,3,6-tetrahydropyridine (PubChem CID 5231471) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-piperidin-4-yl-1,2,3,6-tetrahydropyridine
PubChem CID5231471
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-piperidin-4-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(C2CCNCC2)CCNC1
InChIInChI=1S/C10H18N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1,10-12H,2-8H2
InChIKeyVLJPTOSWVGRETM-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine (CID 5231471) is 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine is C1=C(C2CCNCC2)CCNC1.
What is the InChIKey of 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is VLJPTOSWVGRETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1,10-12H,2-8H2.
What are the key properties of 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine?
4-piperidin-4-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 5231471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).