1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane

C15H30N3O2+ — CID 59325852

IUPAC1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane
SMILESCOCCN1CCCN(CCOC)C1=[N+]1CCCCC1
InChIInChI=1S/C15H30N3O2/c1-19-13-11-17-9-6-10-18(12-14-20-2)15(17)16-7-4-3-5-8-16/h3-14H2,1-2H3/q+1
InChIKeyUUTOFLNPDNPQLP-UHFFFAOYSA-N
MW284.42 g/mol
LogP0.84
Rot. Bonds6

About 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane

1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane (PubChem CID 59325852) has the molecular formula C15H30N3O2+ and a molecular weight of 284.42 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane
PubChem CID59325852
Molecular FormulaC15H30N3O2+
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane
SMILESCOCCN1CCCN(CCOC)C1=[N+]1CCCCC1
InChIInChI=1S/C15H30N3O2/c1-19-13-11-17-9-6-10-18(12-14-20-2)15(17)16-7-4-3-5-8-16/h3-14H2,1-2H3/q+1
InChIKeyUUTOFLNPDNPQLP-UHFFFAOYSA-N
XLogP0.84
TPSA27.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane?
The IUPAC name of 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane (CID 59325852) is 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane is COCCN1CCCN(CCOC)C1=[N+]1CCCCC1.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane?
The InChIKey is UUTOFLNPDNPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3O2/c1-19-13-11-17-9-6-10-18(12-14-20-2)15(17)16-7-4-3-5-8-16/h3-14H2,1-2H3/q+1.
What are the key properties of 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane?
1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane has a molecular weight of 284.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane is sourced from PubChem (CID 59325852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).