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

C8H18NO+ — CID 3025136

IUPAC(1,1-dimethylpiperidin-1-ium-4-yl)methanol
SMILESC[N+]1(C)CCC(CO)CC1
InChIInChI=1S/C8H18NO/c1-9(2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3/q+1
InChIKeyIDRHCLRJCWHDGQ-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.47
Rot. Bonds1

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

(1,1-dimethylpiperidin-1-ium-4-yl)methanol (PubChem CID 3025136) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (1,1-dimethylpiperidin-1-ium-4-yl)methanol.

Molecular Properties

Compound Name(1,1-dimethylpiperidin-1-ium-4-yl)methanol
PubChem CID3025136
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(1,1-dimethylpiperidin-1-ium-4-yl)methanol
SMILESC[N+]1(C)CCC(CO)CC1
InChIInChI=1S/C8H18NO/c1-9(2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3/q+1
InChIKeyIDRHCLRJCWHDGQ-UHFFFAOYSA-N
XLogP0.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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?
The IUPAC name of (1,1-dimethylpiperidin-1-ium-4-yl)methanol (CID 3025136) is (1,1-dimethylpiperidin-1-ium-4-yl)methanol.
What is the SMILES notation for (1,1-dimethylpiperidin-1-ium-4-yl)methanol?
The canonical SMILES for (1,1-dimethylpiperidin-1-ium-4-yl)methanol is C[N+]1(C)CCC(CO)CC1.
What is the InChIKey of (1,1-dimethylpiperidin-1-ium-4-yl)methanol?
The InChIKey is IDRHCLRJCWHDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-9(2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3/q+1.
What are the key properties of (1,1-dimethylpiperidin-1-ium-4-yl)methanol?
(1,1-dimethylpiperidin-1-ium-4-yl)methanol has a molecular weight of 144.24 g/mol, XLogP of 0.47, 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 is sourced from PubChem (CID 3025136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).