3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide

C11H24INO — CID 3024458

IUPAC3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide
SMILESCC1CCCC(C)[N+]1(C)CCCO.[I-]
InChIInChI=1S/C11H24NO.HI/c1-10-6-4-7-11(2)12(10,3)8-5-9-13;/h10-11,13H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyQSLLVYQDGMJVED-UHFFFAOYSA-M
MW313.22 g/mol
LogP-1.22
Rot. Bonds3

About 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide

3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide (PubChem CID 3024458) has the molecular formula C11H24INO and a molecular weight of 313.22 g/mol. Its IUPAC name is 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide.

Molecular Properties

Compound Name3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide
PubChem CID3024458
Molecular FormulaC11H24INO
Molecular Weight313.22 g/mol
Exact Mass313.09
IUPAC Name3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide
SMILESCC1CCCC(C)[N+]1(C)CCCO.[I-]
InChIInChI=1S/C11H24NO.HI/c1-10-6-4-7-11(2)12(10,3)8-5-9-13;/h10-11,13H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyQSLLVYQDGMJVED-UHFFFAOYSA-M
XLogP-1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide?
The IUPAC name of 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide (CID 3024458) is 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide.
What is the SMILES notation for 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide?
The canonical SMILES for 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide is CC1CCCC(C)[N+]1(C)CCCO.[I-].
What is the InChIKey of 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide?
The InChIKey is QSLLVYQDGMJVED-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24NO.HI/c1-10-6-4-7-11(2)12(10,3)8-5-9-13;/h10-11,13H,4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide?
3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide has a molecular weight of 313.22 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,6-trimethylpiperidin-1-ium-1-yl)propan-1-ol iodide is sourced from PubChem (CID 3024458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).