(2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol

C15H30NO+ — CID 57220523

IUPAC(2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol
SMILESC=CC1CCCC[N+]1(CO)CCCCCCC
InChIInChI=1S/C15H30NO/c1-3-5-6-7-9-12-16(14-17)13-10-8-11-15(16)4-2/h4,15,17H,2-3,5-14H2,1H3/q+1
InChIKeyMDPKPVUGQPLPEM-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.46
Rot. Bonds8

About (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol

(2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol (PubChem CID 57220523) has the molecular formula C15H30NO+ and a molecular weight of 240.41 g/mol. Its IUPAC name is (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol.

Molecular Properties

Compound Name(2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol
PubChem CID57220523
Molecular FormulaC15H30NO+
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name(2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol
SMILESC=CC1CCCC[N+]1(CO)CCCCCCC
InChIInChI=1S/C15H30NO/c1-3-5-6-7-9-12-16(14-17)13-10-8-11-15(16)4-2/h4,15,17H,2-3,5-14H2,1H3/q+1
InChIKeyMDPKPVUGQPLPEM-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-2-prop-2-enylpiperidine
CID 85661636
1,1-Dimethyl-2-prop-2-enylpiperidin-1-ium
CID 12312473
Piperidine, 1-methyl-2-(2-propenyl)-
CID 12312498
2-Ethenyl-1-ethylpiperidine
CID 20389292
1,2-Bis(prop-2-enyl)piperidine
CID 54097924
(1-Butyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57036753
(2-Ethenyl-1-propan-2-ylpiperidin-1-ium-1-yl)methanol
CID 57190674
(1-Dodecyl-2-ethenylpiperidin-1-ium-1-yl)methanol
CID 57200194
1-methyl-2-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridin-4-ylium
CID 58123805
1-Pentyl-2-prop-2-enylpiperidine
CID 68279836
1-Hept-1-en-3-ylpiperidine
CID 68589534
1-(2-Prop-2-enylpiperidin-1-yl)prop-2-en-1-ol
CID 70599889

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol?
The IUPAC name of (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol (CID 57220523) is (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol.
What is the SMILES notation for (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol?
The canonical SMILES for (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol is C=CC1CCCC[N+]1(CO)CCCCCCC.
What is the InChIKey of (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol?
The InChIKey is MDPKPVUGQPLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO/c1-3-5-6-7-9-12-16(14-17)13-10-8-11-15(16)4-2/h4,15,17H,2-3,5-14H2,1H3/q+1.
What are the key properties of (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol?
(2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol has a molecular weight of 240.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-1-heptylpiperidin-1-ium-1-yl)methanol is sourced from PubChem (CID 57220523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).