[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium

C14H32N3+3 — CID 9161453

IUPAC[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium
SMILESCC[NH+]1CCC(C[NH3+])([NH+]2CCC(C)CC2)CC1
InChIInChI=1S/C14H29N3/c1-3-16-10-6-14(12-15,7-11-16)17-8-4-13(2)5-9-17/h13H,3-12,15H2,1-2H3/p+3
InChIKeyWIIICGDASLDYKL-UHFFFAOYSA-Q
MW242.43 g/mol
LogP-2.02
Rot. Bonds3

About [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium

[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium (PubChem CID 9161453) has the molecular formula C14H32N3+3 and a molecular weight of 242.43 g/mol. Its IUPAC name is [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium.

Molecular Properties

Compound Name[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium
PubChem CID9161453
Molecular FormulaC14H32N3+3
Molecular Weight242.43 g/mol
Exact Mass242.26
IUPAC Name[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium
SMILESCC[NH+]1CCC(C[NH3+])([NH+]2CCC(C)CC2)CC1
InChIInChI=1S/C14H29N3/c1-3-16-10-6-14(12-15,7-11-16)17-8-4-13(2)5-9-17/h13H,3-12,15H2,1-2H3/p+3
InChIKeyWIIICGDASLDYKL-UHFFFAOYSA-Q
XLogP-2.02
TPSA36.52 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium?
The IUPAC name of [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium (CID 9161453) is [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium.
What is the SMILES notation for [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium?
The canonical SMILES for [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium is CC[NH+]1CCC(C[NH3+])([NH+]2CCC(C)CC2)CC1.
What is the InChIKey of [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium?
The InChIKey is WIIICGDASLDYKL-UHFFFAOYSA-Q. The full InChI is InChI=1S/C14H29N3/c1-3-16-10-6-14(12-15,7-11-16)17-8-4-13(2)5-9-17/h13H,3-12,15H2,1-2H3/p+3.
What are the key properties of [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium?
[1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium has a molecular weight of 242.43 g/mol, XLogP of -2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(4-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-yl]methylazanium is sourced from PubChem (CID 9161453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).