2-chloro-4-piperidin-4-ylpyridine;dihydrochloride

C10H15Cl3N2 — CID 167994882

IUPAC2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
SMILESCl.Cl.Clc1cc(C2CCNCC2)ccn1
InChIInChI=1S/C10H13ClN2.2ClH/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8;;/h3,6-8,12H,1-2,4-5H2;2*1H
InChIKeyCKOQUHIZJKYXBO-UHFFFAOYSA-N
MW269.60 g/mol
LogP3.05
Rot. Bonds1

About 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride

2-chloro-4-piperidin-4-ylpyridine;dihydrochloride (PubChem CID 167994882) has the molecular formula C10H15Cl3N2 and a molecular weight of 269.60 g/mol. Its IUPAC name is 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
PubChem CID167994882
Molecular FormulaC10H15Cl3N2
Molecular Weight269.60 g/mol
Exact Mass268.03
IUPAC Name2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
SMILESCl.Cl.Clc1cc(C2CCNCC2)ccn1
InChIInChI=1S/C10H13ClN2.2ClH/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8;;/h3,6-8,12H,1-2,4-5H2;2*1H
InChIKeyCKOQUHIZJKYXBO-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride?
The IUPAC name of 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride (CID 167994882) is 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride.
What is the SMILES notation for 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride?
The canonical SMILES for 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride is Cl.Cl.Clc1cc(C2CCNCC2)ccn1.
What is the InChIKey of 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride?
The InChIKey is CKOQUHIZJKYXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2.2ClH/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8;;/h3,6-8,12H,1-2,4-5H2;2*1H.
What are the key properties of 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride?
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride has a molecular weight of 269.60 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-4-ylpyridine;dihydrochloride is sourced from PubChem (CID 167994882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).