4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine

C11H17N2+ — CID 7048194

IUPAC4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine
SMILESc1cc(C[C@H]2CCCC[NH2+]2)ccn1
InChIInChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h4-5,7-8,11,13H,1-3,6,9H2/p+1/t11-/m1/s1
InChIKeyAEUYGRJBDIISBC-LLVKDONJSA-O
MW177.27 g/mol
LogP0.74
Rot. Bonds2

About 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine

4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine (PubChem CID 7048194) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine
PubChem CID7048194
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine
SMILESc1cc(C[C@H]2CCCC[NH2+]2)ccn1
InChIInChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h4-5,7-8,11,13H,1-3,6,9H2/p+1/t11-/m1/s1
InChIKeyAEUYGRJBDIISBC-LLVKDONJSA-O
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
The IUPAC name of 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine (CID 7048194) is 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
The canonical SMILES for 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine is c1cc(C[C@H]2CCCC[NH2+]2)ccn1.
What is the InChIKey of 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
The InChIKey is AEUYGRJBDIISBC-LLVKDONJSA-O. The full InChI is InChI=1S/C11H16N2/c1-2-6-13-11(3-1)9-10-4-7-12-8-5-10/h4-5,7-8,11,13H,1-3,6,9H2/p+1/t11-/m1/s1.
What are the key properties of 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine?
4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine has a molecular weight of 177.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-piperidin-1-ium-2-yl]methyl]pyridine is sourced from PubChem (CID 7048194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).