4-piperidin-1-ylpyridin-1-ium

C10H15N2+ — CID 5251844

IUPAC4-piperidin-1-ylpyridin-1-ium
SMILESc1cc(N2CCCCC2)cc[nH+]1
InChIInChI=1S/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2/p+1
InChIKeyMTPBUCCXRGSDCR-UHFFFAOYSA-O
MW163.24 g/mol
LogP1.49
Rot. Bonds1

About 4-piperidin-1-ylpyridin-1-ium

4-piperidin-1-ylpyridin-1-ium (PubChem CID 5251844) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-piperidin-1-ylpyridin-1-ium.

Molecular Properties

Compound Name4-piperidin-1-ylpyridin-1-ium
PubChem CID5251844
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name4-piperidin-1-ylpyridin-1-ium
SMILESc1cc(N2CCCCC2)cc[nH+]1
InChIInChI=1S/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2/p+1
InChIKeyMTPBUCCXRGSDCR-UHFFFAOYSA-O
XLogP1.49
TPSA17.38 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylpyridin-1-ium?
The IUPAC name of 4-piperidin-1-ylpyridin-1-ium (CID 5251844) is 4-piperidin-1-ylpyridin-1-ium.
What is the SMILES notation for 4-piperidin-1-ylpyridin-1-ium?
The canonical SMILES for 4-piperidin-1-ylpyridin-1-ium is c1cc(N2CCCCC2)cc[nH+]1.
What is the InChIKey of 4-piperidin-1-ylpyridin-1-ium?
The InChIKey is MTPBUCCXRGSDCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2/p+1.
What are the key properties of 4-piperidin-1-ylpyridin-1-ium?
4-piperidin-1-ylpyridin-1-ium has a molecular weight of 163.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylpyridin-1-ium is sourced from PubChem (CID 5251844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).