(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium

C12H26N2+2 — CID 6993691

IUPAC(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium
SMILES[NH3+]CC1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-11,13H2/p+2
InChIKeyOHGRMGNDTSKKJV-UHFFFAOYSA-P
MW198.35 g/mol
LogP-0.00
Rot. Bonds2

About (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium

(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium (PubChem CID 6993691) has the molecular formula C12H26N2+2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium.

Molecular Properties

Compound Name(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium
PubChem CID6993691
Molecular FormulaC12H26N2+2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium
SMILES[NH3+]CC1([NH+]2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-11,13H2/p+2
InChIKeyOHGRMGNDTSKKJV-UHFFFAOYSA-P
XLogP-0.00
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium?
The IUPAC name of (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium (CID 6993691) is (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium.
What is the SMILES notation for (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium?
The canonical SMILES for (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium is [NH3+]CC1([NH+]2CCCCC2)CCCCC1.
What is the InChIKey of (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium?
The InChIKey is OHGRMGNDTSKKJV-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H24N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-11,13H2/p+2.
What are the key properties of (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium?
(1-piperidin-1-ium-1-ylcyclohexyl)methylazanium has a molecular weight of 198.35 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-1-ium-1-ylcyclohexyl)methylazanium is sourced from PubChem (CID 6993691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).