2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol

C17H26N2O — CID 170191508

IUPAC2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol
SMILESC=Cc1nc(CCCCN2CCCC(C)C2)ccc1O
InChIInChI=1S/C17H26N2O/c1-3-16-17(20)10-9-15(18-16)8-4-5-11-19-12-6-7-14(2)13-19/h3,9-10,14,20H,1,4-8,11-13H2,2H3
InChIKeyFRYLBFDOMMAUBJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.48
Rot. Bonds6

About 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol

2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol (PubChem CID 170191508) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol.

Molecular Properties

Compound Name2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol
PubChem CID170191508
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol
SMILESC=Cc1nc(CCCCN2CCCC(C)C2)ccc1O
InChIInChI=1S/C17H26N2O/c1-3-16-17(20)10-9-15(18-16)8-4-5-11-19-12-6-7-14(2)13-19/h3,9-10,14,20H,1,4-8,11-13H2,2H3
InChIKeyFRYLBFDOMMAUBJ-UHFFFAOYSA-N
XLogP3.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol?
The IUPAC name of 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol (CID 170191508) is 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol.
What is the SMILES notation for 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol?
The canonical SMILES for 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol is C=Cc1nc(CCCCN2CCCC(C)C2)ccc1O.
What is the InChIKey of 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol?
The InChIKey is FRYLBFDOMMAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-16-17(20)10-9-15(18-16)8-4-5-11-19-12-6-7-14(2)13-19/h3,9-10,14,20H,1,4-8,11-13H2,2H3.
What are the key properties of 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol?
2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol has a molecular weight of 274.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-[4-(3-methylpiperidin-1-yl)butyl]pyridin-3-ol is sourced from PubChem (CID 170191508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).