1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone

C16H31N3O2+2 — CID 7437012

IUPAC1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone
SMILESO=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O2/c20-16(19-10-12-21-13-11-19)14-17-8-4-15(5-9-17)18-6-2-1-3-7-18/h15H,1-14H2/p+2
InChIKeyJKJHSYLSGQFDAM-UHFFFAOYSA-P
MW297.44 g/mol
LogP-2.04
Rot. Bonds3

About 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone

1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone (PubChem CID 7437012) has the molecular formula C16H31N3O2+2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone
PubChem CID7437012
Molecular FormulaC16H31N3O2+2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone
SMILESO=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O2/c20-16(19-10-12-21-13-11-19)14-17-8-4-15(5-9-17)18-6-2-1-3-7-18/h15H,1-14H2/p+2
InChIKeyJKJHSYLSGQFDAM-UHFFFAOYSA-P
XLogP-2.04
TPSA38.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone (CID 7437012) is 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone is O=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone?
The InChIKey is JKJHSYLSGQFDAM-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H29N3O2/c20-16(19-10-12-21-13-11-19)14-17-8-4-15(5-9-17)18-6-2-1-3-7-18/h15H,1-14H2/p+2.
What are the key properties of 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone?
1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone has a molecular weight of 297.44 g/mol, XLogP of -2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanone is sourced from PubChem (CID 7437012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).