(1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide

C8H18INO — CID 3025135

IUPAC(1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide
SMILESC[N+]1(C)CCC(CO)CC1.[I-]
InChIInChI=1S/C8H18NO.HI/c1-9(2)5-3-8(7-10)4-6-9;/h8,10H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyNNIVIBTZFGMFFJ-UHFFFAOYSA-M
MW271.14 g/mol
LogP-2.53
Rot. Bonds1

About (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide

(1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide (PubChem CID 3025135) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide.

Molecular Properties

Compound Name(1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide
PubChem CID3025135
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC Name(1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide
SMILESC[N+]1(C)CCC(CO)CC1.[I-]
InChIInChI=1S/C8H18NO.HI/c1-9(2)5-3-8(7-10)4-6-9;/h8,10H,3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyNNIVIBTZFGMFFJ-UHFFFAOYSA-M
XLogP-2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 5-2.53
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 (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide?
The IUPAC name of (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide (CID 3025135) is (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide.
What is the SMILES notation for (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide?
The canonical SMILES for (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide is C[N+]1(C)CCC(CO)CC1.[I-].
What is the InChIKey of (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide?
The InChIKey is NNIVIBTZFGMFFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.HI/c1-9(2)5-3-8(7-10)4-6-9;/h8,10H,3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide?
(1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide has a molecular weight of 271.14 g/mol, XLogP of -2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethylpiperidin-1-ium-4-yl)methanol iodide is sourced from PubChem (CID 3025135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).