2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol

C15H27NO — CID 142944216

IUPAC2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol
SMILESC=C1CCCC(C=CO)N1CCCCCCC
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-12-16-14(2)9-8-10-15(16)11-13-17/h11,13,15,17H,2-10,12H2,1H3
InChIKeyLHOSDCHKOAIDCS-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.40
Rot. Bonds7

About 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol

2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol (PubChem CID 142944216) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol.

Molecular Properties

Compound Name2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol
PubChem CID142944216
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol
SMILESC=C1CCCC(C=CO)N1CCCCCCC
InChIInChI=1S/C15H27NO/c1-3-4-5-6-7-12-16-14(2)9-8-10-15(16)11-13-17/h11,13,15,17H,2-10,12H2,1H3
InChIKeyLHOSDCHKOAIDCS-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol?
The IUPAC name of 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol (CID 142944216) is 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol.
What is the SMILES notation for 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol?
The canonical SMILES for 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol is C=C1CCCC(C=CO)N1CCCCCCC.
What is the InChIKey of 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol?
The InChIKey is LHOSDCHKOAIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-6-7-12-16-14(2)9-8-10-15(16)11-13-17/h11,13,15,17H,2-10,12H2,1H3.
What are the key properties of 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol?
2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol has a molecular weight of 237.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptyl-6-methylidenepiperidin-2-yl)ethenol is sourced from PubChem (CID 142944216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).