(1-ethylpiperidin-1-ium-4-yl)methylazanium

C8H20N2+2 — CID 7018114

IUPAC(1-ethylpiperidin-1-ium-4-yl)methylazanium
SMILESCC[NH+]1CCC(C[NH3+])CC1
InChIInChI=1S/C8H18N2/c1-2-10-5-3-8(7-9)4-6-10/h8H,2-7,9H2,1H3/p+2
InChIKeyZLODGCYXZYPQKQ-UHFFFAOYSA-P
MW144.26 g/mol
LogP-1.46
Rot. Bonds2

About (1-ethylpiperidin-1-ium-4-yl)methylazanium

(1-ethylpiperidin-1-ium-4-yl)methylazanium (PubChem CID 7018114) has the molecular formula C8H20N2+2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (1-ethylpiperidin-1-ium-4-yl)methylazanium.

Molecular Properties

Compound Name(1-ethylpiperidin-1-ium-4-yl)methylazanium
PubChem CID7018114
Molecular FormulaC8H20N2+2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(1-ethylpiperidin-1-ium-4-yl)methylazanium
SMILESCC[NH+]1CCC(C[NH3+])CC1
InChIInChI=1S/C8H18N2/c1-2-10-5-3-8(7-9)4-6-10/h8H,2-7,9H2,1H3/p+2
InChIKeyZLODGCYXZYPQKQ-UHFFFAOYSA-P
XLogP-1.46
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

butane;bis(1,3-diethylpyrrolidin-1-ium);dihydroxide
CID 159009313
1-ethyl-3-propylpyrrolidin-1-ium cyanide
CID 171569840
[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium
CID 9161453
spiro[5.5]undecan-3-ylmethylazanium
CID 58073628
bis(1-ethylpyrrolidin-1-ium) ditetrafluoroborate
CID 142722303
1-ethylpyrrolidin-1-ium tetrafluoroborate
CID 87289720
4-butyl-1-nonylpiperidin-1-ium chloride
CID 171570141
3-butyl-1-pentylpyrrolidin-1-ium fluoride
CID 171570680
1,3-di(tridecyl)pyrrolidin-1-ium bromide
CID 162511807
1,3-di(nonadecyl)pyrrolidin-1-ium bromide
CID 162511830
3-butyl-1-octylpyrrolidin-1-ium fluoride
CID 171571275
1,3-di(tetradecyl)pyrrolidin-1-ium chloride
CID 162511911

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-1-ium-4-yl)methylazanium?
The IUPAC name of (1-ethylpiperidin-1-ium-4-yl)methylazanium (CID 7018114) is (1-ethylpiperidin-1-ium-4-yl)methylazanium.
What is the SMILES notation for (1-ethylpiperidin-1-ium-4-yl)methylazanium?
The canonical SMILES for (1-ethylpiperidin-1-ium-4-yl)methylazanium is CC[NH+]1CCC(C[NH3+])CC1.
What is the InChIKey of (1-ethylpiperidin-1-ium-4-yl)methylazanium?
The InChIKey is ZLODGCYXZYPQKQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H18N2/c1-2-10-5-3-8(7-9)4-6-10/h8H,2-7,9H2,1H3/p+2.
What are the key properties of (1-ethylpiperidin-1-ium-4-yl)methylazanium?
(1-ethylpiperidin-1-ium-4-yl)methylazanium has a molecular weight of 144.26 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-1-ium-4-yl)methylazanium is sourced from PubChem (CID 7018114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).