2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol

C12H23NO — CID 114448957

IUPAC2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
SMILESC=C(C)CCN1CCCCC1CCO
InChIInChI=1S/C12H23NO/c1-11(2)6-9-13-8-4-3-5-12(13)7-10-14/h12,14H,1,3-10H2,2H3
InChIKeyPQCOJBLOGSQFHK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol

2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol (PubChem CID 114448957) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
PubChem CID114448957
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol
SMILESC=C(C)CCN1CCCCC1CCO
InChIInChI=1S/C12H23NO/c1-11(2)6-9-13-8-4-3-5-12(13)7-10-14/h12,14H,1,3-10H2,2H3
InChIKeyPQCOJBLOGSQFHK-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol 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-(3-methylbut-3-enyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol (CID 114448957) is 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol is C=C(C)CCN1CCCCC1CCO.
What is the InChIKey of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol?
The InChIKey is PQCOJBLOGSQFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-9-13-8-4-3-5-12(13)7-10-14/h12,14H,1,3-10H2,2H3.
What are the key properties of 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol?
2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbut-3-enyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 114448957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).