4-piperidin-4-ylpiperidine;trihydrochloride

C10H23Cl3N2 — CID 172779803

IUPAC4-piperidin-4-ylpiperidine;trihydrochloride
SMILESC1CC(C2CCNCC2)CCN1.Cl.Cl.Cl
InChIInChI=1S/C10H20N2.3ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;/h9-12H,1-8H2;3*1H
InChIKeyOCJXYSXPCLECKY-UHFFFAOYSA-N
MW277.67 g/mol
LogP2.25
Rot. Bonds1

About 4-piperidin-4-ylpiperidine;trihydrochloride

4-piperidin-4-ylpiperidine;trihydrochloride (PubChem CID 172779803) has the molecular formula C10H23Cl3N2 and a molecular weight of 277.67 g/mol. Its IUPAC name is 4-piperidin-4-ylpiperidine;trihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylpiperidine;trihydrochloride
PubChem CID172779803
Molecular FormulaC10H23Cl3N2
Molecular Weight277.67 g/mol
Exact Mass276.09
IUPAC Name4-piperidin-4-ylpiperidine;trihydrochloride
SMILESC1CC(C2CCNCC2)CCN1.Cl.Cl.Cl
InChIInChI=1S/C10H20N2.3ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;/h9-12H,1-8H2;3*1H
InChIKeyOCJXYSXPCLECKY-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2,3,3a,4,5,6,7,8,8a-decahydropyrrolo[2,3-d]azepine
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2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620
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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylpiperidine;trihydrochloride?
The IUPAC name of 4-piperidin-4-ylpiperidine;trihydrochloride (CID 172779803) is 4-piperidin-4-ylpiperidine;trihydrochloride.
What is the SMILES notation for 4-piperidin-4-ylpiperidine;trihydrochloride?
The canonical SMILES for 4-piperidin-4-ylpiperidine;trihydrochloride is C1CC(C2CCNCC2)CCN1.Cl.Cl.Cl.
What is the InChIKey of 4-piperidin-4-ylpiperidine;trihydrochloride?
The InChIKey is OCJXYSXPCLECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.3ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;/h9-12H,1-8H2;3*1H.
What are the key properties of 4-piperidin-4-ylpiperidine;trihydrochloride?
4-piperidin-4-ylpiperidine;trihydrochloride has a molecular weight of 277.67 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylpiperidine;trihydrochloride is sourced from PubChem (CID 172779803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).