4-piperidin-1-ium-4-ylpiperidin-1-ium

C10H22N2+2 — CID 5245633

IUPAC4-piperidin-1-ium-4-ylpiperidin-1-ium
SMILESC1CC(C2CC[NH2+]CC2)CC[NH2+]1
InChIInChI=1S/C10H20N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h9-12H,1-8H2/p+2
InChIKeyPRNRUOJLUPUJDN-UHFFFAOYSA-P
MW170.30 g/mol
LogP-1.07
Rot. Bonds1

About 4-piperidin-1-ium-4-ylpiperidin-1-ium

4-piperidin-1-ium-4-ylpiperidin-1-ium (PubChem CID 5245633) has the molecular formula C10H22N2+2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-piperidin-1-ium-4-ylpiperidin-1-ium.

Molecular Properties

Compound Name4-piperidin-1-ium-4-ylpiperidin-1-ium
PubChem CID5245633
Molecular FormulaC10H22N2+2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-piperidin-1-ium-4-ylpiperidin-1-ium
SMILESC1CC(C2CC[NH2+]CC2)CC[NH2+]1
InChIInChI=1S/C10H20N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h9-12H,1-8H2/p+2
InChIKeyPRNRUOJLUPUJDN-UHFFFAOYSA-P
XLogP-1.07
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ium-4-ylpiperidin-1-ium?
The IUPAC name of 4-piperidin-1-ium-4-ylpiperidin-1-ium (CID 5245633) is 4-piperidin-1-ium-4-ylpiperidin-1-ium.
What is the SMILES notation for 4-piperidin-1-ium-4-ylpiperidin-1-ium?
The canonical SMILES for 4-piperidin-1-ium-4-ylpiperidin-1-ium is C1CC(C2CC[NH2+]CC2)CC[NH2+]1.
What is the InChIKey of 4-piperidin-1-ium-4-ylpiperidin-1-ium?
The InChIKey is PRNRUOJLUPUJDN-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H20N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h9-12H,1-8H2/p+2.
What are the key properties of 4-piperidin-1-ium-4-ylpiperidin-1-ium?
4-piperidin-1-ium-4-ylpiperidin-1-ium has a molecular weight of 170.30 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ium-4-ylpiperidin-1-ium is sourced from PubChem (CID 5245633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).