3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium

C10H24N2O+2 — CID 7009442

IUPAC3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCOCCC[NH2+]C1CC[NH+](C)CC1
InChIInChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3/p+2
InChIKeyHZXTVHVKRLJKAY-UHFFFAOYSA-P
MW188.31 g/mol
LogP-1.74
Rot. Bonds5

About 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium

3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 7009442) has the molecular formula C10H24N2O+2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID7009442
Molecular FormulaC10H24N2O+2
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCOCCC[NH2+]C1CC[NH+](C)CC1
InChIInChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3/p+2
InChIKeyHZXTVHVKRLJKAY-UHFFFAOYSA-P
XLogP-1.74
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium (CID 7009442) is 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium is COCCC[NH2+]C1CC[NH+](C)CC1.
What is the InChIKey of 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is HZXTVHVKRLJKAY-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3/p+2.
What are the key properties of 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium?
3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 188.31 g/mol, XLogP of -1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl-(1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 7009442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).