1-ethyl-1-methylpiperidin-1-ium-4-ol

C8H18NO+ — CID 19838374

IUPAC1-ethyl-1-methylpiperidin-1-ium-4-ol
SMILESCC[N+]1(C)CCC(O)CC1
InChIInChI=1S/C8H18NO/c1-3-9(2)6-4-8(10)5-7-9/h8,10H,3-7H2,1-2H3/q+1
InChIKeyALTZXJJUEFRATC-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.61
Rot. Bonds1

About 1-ethyl-1-methylpiperidin-1-ium-4-ol

1-ethyl-1-methylpiperidin-1-ium-4-ol (PubChem CID 19838374) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-ethyl-1-methylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-ethyl-1-methylpiperidin-1-ium-4-ol
PubChem CID19838374
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name1-ethyl-1-methylpiperidin-1-ium-4-ol
SMILESCC[N+]1(C)CCC(O)CC1
InChIInChI=1S/C8H18NO/c1-3-9(2)6-4-8(10)5-7-9/h8,10H,3-7H2,1-2H3/q+1
InChIKeyALTZXJJUEFRATC-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
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-ethyl-1-methylpiperidin-1-ium-4-ol?
The IUPAC name of 1-ethyl-1-methylpiperidin-1-ium-4-ol (CID 19838374) is 1-ethyl-1-methylpiperidin-1-ium-4-ol.
What is the SMILES notation for 1-ethyl-1-methylpiperidin-1-ium-4-ol?
The canonical SMILES for 1-ethyl-1-methylpiperidin-1-ium-4-ol is CC[N+]1(C)CCC(O)CC1.
What is the InChIKey of 1-ethyl-1-methylpiperidin-1-ium-4-ol?
The InChIKey is ALTZXJJUEFRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-3-9(2)6-4-8(10)5-7-9/h8,10H,3-7H2,1-2H3/q+1.
What are the key properties of 1-ethyl-1-methylpiperidin-1-ium-4-ol?
1-ethyl-1-methylpiperidin-1-ium-4-ol has a molecular weight of 144.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylpiperidin-1-ium-4-ol is sourced from PubChem (CID 19838374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).