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

C10H18N2 — CID 121437323

IUPAC3-piperidin-4-yl-1,2,3,4-tetrahydropyridine
SMILESC1=CNCC(C2CCNCC2)C1
InChIInChI=1S/C10H18N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1,5,9-12H,2-4,6-8H2
InChIKeyPIFSDVSYFQXPBU-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.11
Rot. Bonds1

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

3-piperidin-4-yl-1,2,3,4-tetrahydropyridine (PubChem CID 121437323) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-piperidin-4-yl-1,2,3,4-tetrahydropyridine
PubChem CID121437323
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-piperidin-4-yl-1,2,3,4-tetrahydropyridine
SMILESC1=CNCC(C2CCNCC2)C1
InChIInChI=1S/C10H18N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1,5,9-12H,2-4,6-8H2
InChIKeyPIFSDVSYFQXPBU-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine (CID 121437323) is 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine is C1=CNCC(C2CCNCC2)C1.
What is the InChIKey of 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine?
The InChIKey is PIFSDVSYFQXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1,5,9-12H,2-4,6-8H2.
What are the key properties of 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine?
3-piperidin-4-yl-1,2,3,4-tetrahydropyridine has a molecular weight of 166.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 121437323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).