2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium

C8H16NO+ — CID 57033002

IUPAC2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium
SMILESC=CC1CCCC[N+]1(C)O
InChIInChI=1S/C8H16NO/c1-3-8-6-4-5-7-9(8,2)10/h3,8,10H,1,4-7H2,2H3/q+1
InChIKeyKQDSBEGTDZEMBF-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.56
Rot. Bonds1

About 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium

2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium (PubChem CID 57033002) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium
PubChem CID57033002
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium
SMILESC=CC1CCCC[N+]1(C)O
InChIInChI=1S/C8H16NO/c1-3-8-6-4-5-7-9(8,2)10/h3,8,10H,1,4-7H2,2H3/q+1
InChIKeyKQDSBEGTDZEMBF-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-Ethenyl-1-prop-2-enylpiperidine
CID 10773146
2-Ethenyl-1-methylpiperidine
CID 264794
1-Hydroxy-2-pentyl-6-allylpiperidine
CID 129798424
2-Ethenyl-1-ethylpiperidine
CID 20389292
(1-Butyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57036753
(2-Ethenyl-1-propan-2-ylpiperidin-1-ium-1-yl)methanol
CID 57190674
(2R)-2-ethenyl-1-methylpiperidine
CID 58715340
(2S)-2-ethenyl-1-methylpiperidine
CID 58715348
2-Ethenyl-1-methoxypiperidine
CID 66833514
1-Hydroxy-2,6-bis(prop-2-enyl)piperidine
CID 67644248
1-Hept-1-en-3-ylpiperidine
CID 68589534
1-Pent-1-en-3-ylpiperidine
CID 68590098

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium?
The IUPAC name of 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium (CID 57033002) is 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium.
What is the SMILES notation for 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium?
The canonical SMILES for 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium is C=CC1CCCC[N+]1(C)O.
What is the InChIKey of 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium?
The InChIKey is KQDSBEGTDZEMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-3-8-6-4-5-7-9(8,2)10/h3,8,10H,1,4-7H2,2H3/q+1.
What are the key properties of 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium?
2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium has a molecular weight of 142.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-hydroxy-1-methylpiperidin-1-ium is sourced from PubChem (CID 57033002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).