2-piperidin-1-ium-1-ylethylazanium

C7H18N2+2 — CID 6919057

IUPAC2-piperidin-1-ium-1-ylethylazanium
SMILES[NH3+]CC[NH+]1CCCCC1
InChIInChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2/p+2
InChIKeyCJNRGSHEMCMUOE-UHFFFAOYSA-P
MW130.24 g/mol
LogP-1.70
Rot. Bonds2

About 2-piperidin-1-ium-1-ylethylazanium

2-piperidin-1-ium-1-ylethylazanium (PubChem CID 6919057) has the molecular formula C7H18N2+2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylethylazanium.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylethylazanium
PubChem CID6919057
Molecular FormulaC7H18N2+2
Molecular Weight130.24 g/mol
Exact Mass130.15
IUPAC Name2-piperidin-1-ium-1-ylethylazanium
SMILES[NH3+]CC[NH+]1CCCCC1
InChIInChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2/p+2
InChIKeyCJNRGSHEMCMUOE-UHFFFAOYSA-P
XLogP-1.70
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-propylpiperidin-1-ium
CID 36689403
[(2R)-4-(azepan-1-ium-1-yl)butan-2-yl]azanium
CID 7219851
1-(2-ethylsulfonylethyl)piperidin-1-ium
CID 7200796
3-piperidin-1-ium-1-yl-N-[(3-piperidin-1-ium-1-ylpropanoylamino)methyl]propanamide
CID 7226771
1-[2-(4-bromophenyl)ethyl]piperidin-1-ium
CID 86308017
1-benzyl-4-(2-piperidin-1-ium-1-ylethyl)piperazine-1,4-diium
CID 7436888
1-prop-2-enylpiperidin-1-ium
CID 7018872
[(2R)-1-(azepan-1-ium-1-yl)butan-2-yl]azanium
CID 7138352
(1-nitro-3-piperidin-1-ium-1-ylpropylidene)-dioxidoazanium
CID 134862454
3-piperidin-1-ium-1-ylpropyl acetate
CID 2272958
oxido-oxo-(piperidin-1-ium-1-ylmethyl)phosphanium
CID 28680070
10-(3-piperidin-1-ium-1-ylpropyl)phenothiazine
CID 4066032

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylethylazanium?
The IUPAC name of 2-piperidin-1-ium-1-ylethylazanium (CID 6919057) is 2-piperidin-1-ium-1-ylethylazanium.
What is the SMILES notation for 2-piperidin-1-ium-1-ylethylazanium?
The canonical SMILES for 2-piperidin-1-ium-1-ylethylazanium is [NH3+]CC[NH+]1CCCCC1.
What is the InChIKey of 2-piperidin-1-ium-1-ylethylazanium?
The InChIKey is CJNRGSHEMCMUOE-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2/p+2.
What are the key properties of 2-piperidin-1-ium-1-ylethylazanium?
2-piperidin-1-ium-1-ylethylazanium has a molecular weight of 130.24 g/mol, XLogP of -1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylethylazanium is sourced from PubChem (CID 6919057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).