1-ethenyl-1-methylpiperidin-1-ium-4-ol

C8H16NO+ — CID 163764786

IUPAC1-ethenyl-1-methylpiperidin-1-ium-4-ol
SMILESC=C[N+]1(C)CCC(O)CC1
InChIInChI=1S/C8H16NO/c1-3-9(2)6-4-8(10)5-7-9/h3,8,10H,1,4-7H2,2H3/q+1
InChIKeyRTVVNMPEWFLHBK-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.73
Rot. Bonds1

About 1-ethenyl-1-methylpiperidin-1-ium-4-ol

1-ethenyl-1-methylpiperidin-1-ium-4-ol (PubChem CID 163764786) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-ethenyl-1-methylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-ethenyl-1-methylpiperidin-1-ium-4-ol
PubChem CID163764786
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name1-ethenyl-1-methylpiperidin-1-ium-4-ol
SMILESC=C[N+]1(C)CCC(O)CC1
InChIInChI=1S/C8H16NO/c1-3-9(2)6-4-8(10)5-7-9/h3,8,10H,1,4-7H2,2H3/q+1
InChIKeyRTVVNMPEWFLHBK-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.73
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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Related Compounds

1-Propylpiperidin-4-ol
CID 13665269
1-Butylpiperidin-4-ol
CID 13665270
1-Piperidin-1-ylpentan-3-ol
CID 12323456
alpha-Methyl-1-piperidinepropanol
CID 13155989
1-Pentylpiperidin-4-ol
CID 15896121
1-Ethyl-1-methylpiperidin-1-ium-4-ol
CID 19838374
1-Butylpiperidin-4-ol;methane
CID 23291440
1,1-Diethylpiperidin-1-ium-4-ol
CID 58922726
1-Prop-1-enylpiperidin-4-ol
CID 60003649
1-Ethenyl-4-methoxypiperidine
CID 60024777
Methane;1-prop-2-enylpiperidin-4-ol
CID 67493558
1-Prop-1-en-2-ylpiperidin-4-ol
CID 70214010

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methylpiperidin-1-ium-4-ol?
The IUPAC name of 1-ethenyl-1-methylpiperidin-1-ium-4-ol (CID 163764786) is 1-ethenyl-1-methylpiperidin-1-ium-4-ol.
What is the SMILES notation for 1-ethenyl-1-methylpiperidin-1-ium-4-ol?
The canonical SMILES for 1-ethenyl-1-methylpiperidin-1-ium-4-ol is C=C[N+]1(C)CCC(O)CC1.
What is the InChIKey of 1-ethenyl-1-methylpiperidin-1-ium-4-ol?
The InChIKey is RTVVNMPEWFLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-3-9(2)6-4-8(10)5-7-9/h3,8,10H,1,4-7H2,2H3/q+1.
What are the key properties of 1-ethenyl-1-methylpiperidin-1-ium-4-ol?
1-ethenyl-1-methylpiperidin-1-ium-4-ol has a molecular weight of 142.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methylpiperidin-1-ium-4-ol is sourced from PubChem (CID 163764786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).