(1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium

C12H28N3O+3 — CID 9161432

IUPAC(1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium
SMILESCC[NH+]1CCC(C[NH3+])([NH+]2CCOCC2)CC1
InChIInChI=1S/C12H25N3O/c1-2-14-5-3-12(11-13,4-6-14)15-7-9-16-10-8-15/h2-11,13H2,1H3/p+3
InChIKeyAVHWWCBWQGKSPO-UHFFFAOYSA-Q
MW230.38 g/mol
LogP-3.42
Rot. Bonds3

About (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium

(1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium (PubChem CID 9161432) has the molecular formula C12H28N3O+3 and a molecular weight of 230.38 g/mol. Its IUPAC name is (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium.

Molecular Properties

Compound Name(1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium
PubChem CID9161432
Molecular FormulaC12H28N3O+3
Molecular Weight230.38 g/mol
Exact Mass230.22
IUPAC Name(1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium
SMILESCC[NH+]1CCC(C[NH3+])([NH+]2CCOCC2)CC1
InChIInChI=1S/C12H25N3O/c1-2-14-5-3-12(11-13,4-6-14)15-7-9-16-10-8-15/h2-11,13H2,1H3/p+3
InChIKeyAVHWWCBWQGKSPO-UHFFFAOYSA-Q
XLogP-3.42
TPSA45.75 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 5-3.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
The IUPAC name of (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium (CID 9161432) is (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium.
What is the SMILES notation for (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
The canonical SMILES for (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium is CC[NH+]1CCC(C[NH3+])([NH+]2CCOCC2)CC1.
What is the InChIKey of (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
The InChIKey is AVHWWCBWQGKSPO-UHFFFAOYSA-Q. The full InChI is InChI=1S/C12H25N3O/c1-2-14-5-3-12(11-13,4-6-14)15-7-9-16-10-8-15/h2-11,13H2,1H3/p+3.
What are the key properties of (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
(1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium has a molecular weight of 230.38 g/mol, XLogP of -3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium is sourced from PubChem (CID 9161432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).