(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide

C9H20IN — CID 109374157

IUPAC(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide
SMILESC[C@@H]1C[C@H](C)C[N+](C)(C)C1.[I-]
InChIInChI=1S/C9H20N.HI/c1-8-5-9(2)7-10(3,4)6-8;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+;
InChIKeyOMRPRQVWTIDFQP-UFIFRZAQSA-M
MW269.17 g/mol
LogP-1.26
Rot. Bonds

About (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide

(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide (PubChem CID 109374157) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide.

Molecular Properties

Compound Name(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide
PubChem CID109374157
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Name(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide
SMILESC[C@@H]1C[C@H](C)C[N+](C)(C)C1.[I-]
InChIInChI=1S/C9H20N.HI/c1-8-5-9(2)7-10(3,4)6-8;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+;
InChIKeyOMRPRQVWTIDFQP-UFIFRZAQSA-M
XLogP-1.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide?
The IUPAC name of (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide (CID 109374157) is (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide.
What is the SMILES notation for (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide?
The canonical SMILES for (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide is C[C@@H]1C[C@H](C)C[N+](C)(C)C1.[I-].
What is the InChIKey of (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide?
The InChIKey is OMRPRQVWTIDFQP-UFIFRZAQSA-M. The full InChI is InChI=1S/C9H20N.HI/c1-8-5-9(2)7-10(3,4)6-8;/h8-9H,5-7H2,1-4H3;1H/q+1;/p-1/t8-,9+;.
What are the key properties of (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide?
(3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide has a molecular weight of 269.17 g/mol, XLogP of -1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1,1,3,5-tetramethylpiperidin-1-ium iodide is sourced from PubChem (CID 109374157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).