4-(piperidin-1-ium-4-ylmethyl)pyridine

C11H17N2+ — CID 26369534

IUPAC4-(piperidin-1-ium-4-ylmethyl)pyridine
SMILESc1cc(CC2CC[NH2+]CC2)ccn1
InChIInChI=1S/C11H16N2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-2,5-6,11,13H,3-4,7-9H2/p+1
InChIKeyIZGBPYJZRFCEDQ-UHFFFAOYSA-O
MW177.27 g/mol
LogP0.60
Rot. Bonds2

About 4-(piperidin-1-ium-4-ylmethyl)pyridine

4-(piperidin-1-ium-4-ylmethyl)pyridine (PubChem CID 26369534) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-(piperidin-1-ium-4-ylmethyl)pyridine.

Molecular Properties

Compound Name4-(piperidin-1-ium-4-ylmethyl)pyridine
PubChem CID26369534
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name4-(piperidin-1-ium-4-ylmethyl)pyridine
SMILESc1cc(CC2CC[NH2+]CC2)ccn1
InChIInChI=1S/C11H16N2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-2,5-6,11,13H,3-4,7-9H2/p+1
InChIKeyIZGBPYJZRFCEDQ-UHFFFAOYSA-O
XLogP0.60
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ium-4-ylmethyl)pyridine?
The IUPAC name of 4-(piperidin-1-ium-4-ylmethyl)pyridine (CID 26369534) is 4-(piperidin-1-ium-4-ylmethyl)pyridine.
What is the SMILES notation for 4-(piperidin-1-ium-4-ylmethyl)pyridine?
The canonical SMILES for 4-(piperidin-1-ium-4-ylmethyl)pyridine is c1cc(CC2CC[NH2+]CC2)ccn1.
What is the InChIKey of 4-(piperidin-1-ium-4-ylmethyl)pyridine?
The InChIKey is IZGBPYJZRFCEDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-2,5-6,11,13H,3-4,7-9H2/p+1.
What are the key properties of 4-(piperidin-1-ium-4-ylmethyl)pyridine?
4-(piperidin-1-ium-4-ylmethyl)pyridine has a molecular weight of 177.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ium-4-ylmethyl)pyridine is sourced from PubChem (CID 26369534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).