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

C11H26N3O+3 — CID 9161415

IUPAC(1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium
SMILESC[NH+]1CCC(C[NH3+])([NH+]2CCOCC2)CC1
InChIInChI=1S/C11H23N3O/c1-13-4-2-11(10-12,3-5-13)14-6-8-15-9-7-14/h2-10,12H2,1H3/p+3
InChIKeyBSIAZGAQJWMPKR-UHFFFAOYSA-Q
MW216.35 g/mol
LogP-3.81
Rot. Bonds2

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

(1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium (PubChem CID 9161415) has the molecular formula C11H26N3O+3 and a molecular weight of 216.35 g/mol. Its IUPAC name is (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium.

Molecular Properties

Compound Name(1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium
PubChem CID9161415
Molecular FormulaC11H26N3O+3
Molecular Weight216.35 g/mol
Exact Mass216.21
IUPAC Name(1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium
SMILESC[NH+]1CCC(C[NH3+])([NH+]2CCOCC2)CC1
InChIInChI=1S/C11H23N3O/c1-13-4-2-11(10-12,3-5-13)14-6-8-15-9-7-14/h2-10,12H2,1H3/p+3
InChIKeyBSIAZGAQJWMPKR-UHFFFAOYSA-Q
XLogP-3.81
TPSA45.75 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 5-3.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
The IUPAC name of (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium (CID 9161415) is (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium.
What is the SMILES notation for (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
The canonical SMILES for (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium is C[NH+]1CCC(C[NH3+])([NH+]2CCOCC2)CC1.
What is the InChIKey of (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
The InChIKey is BSIAZGAQJWMPKR-UHFFFAOYSA-Q. The full InChI is InChI=1S/C11H23N3O/c1-13-4-2-11(10-12,3-5-13)14-6-8-15-9-7-14/h2-10,12H2,1H3/p+3.
What are the key properties of (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium?
(1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium has a molecular weight of 216.35 g/mol, XLogP of -3.81, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-morpholin-4-ium-4-ylpiperidin-1-ium-4-yl)methylazanium is sourced from PubChem (CID 9161415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).