3-piperidin-4-ylpyridine;dihydrochloride

C10H16Cl2N2 — CID 21192973

IUPAC3-piperidin-4-ylpyridine;dihydrochloride
SMILESCl.Cl.c1cncc(C2CCNCC2)c1
InChIInChI=1S/C10H14N2.2ClH/c1-2-10(8-12-5-1)9-3-6-11-7-4-9;;/h1-2,5,8-9,11H,3-4,6-7H2;2*1H
InChIKeyPUOFTXQLJPYTRT-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.39
Rot. Bonds1

About 3-piperidin-4-ylpyridine;dihydrochloride

3-piperidin-4-ylpyridine;dihydrochloride (PubChem CID 21192973) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-piperidin-4-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-4-ylpyridine;dihydrochloride
PubChem CID21192973
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name3-piperidin-4-ylpyridine;dihydrochloride
SMILESCl.Cl.c1cncc(C2CCNCC2)c1
InChIInChI=1S/C10H14N2.2ClH/c1-2-10(8-12-5-1)9-3-6-11-7-4-9;;/h1-2,5,8-9,11H,3-4,6-7H2;2*1H
InChIKeyPUOFTXQLJPYTRT-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylpyridine;dihydrochloride?
The IUPAC name of 3-piperidin-4-ylpyridine;dihydrochloride (CID 21192973) is 3-piperidin-4-ylpyridine;dihydrochloride.
What is the SMILES notation for 3-piperidin-4-ylpyridine;dihydrochloride?
The canonical SMILES for 3-piperidin-4-ylpyridine;dihydrochloride is Cl.Cl.c1cncc(C2CCNCC2)c1.
What is the InChIKey of 3-piperidin-4-ylpyridine;dihydrochloride?
The InChIKey is PUOFTXQLJPYTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c1-2-10(8-12-5-1)9-3-6-11-7-4-9;;/h1-2,5,8-9,11H,3-4,6-7H2;2*1H.
What are the key properties of 3-piperidin-4-ylpyridine;dihydrochloride?
3-piperidin-4-ylpyridine;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylpyridine;dihydrochloride is sourced from PubChem (CID 21192973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).