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

C12H23NO — CID 62356826

IUPAC2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol
SMILESCC(C)=CCN1CCCC(CCO)C1
InChIInChI=1S/C12H23NO/c1-11(2)5-8-13-7-3-4-12(10-13)6-9-14/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyVDWULAIXCITFHY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds4

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

2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol (PubChem CID 62356826) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol
PubChem CID62356826
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol
SMILESCC(C)=CCN1CCCC(CCO)C1
InChIInChI=1S/C12H23NO/c1-11(2)5-8-13-7-3-4-12(10-13)6-9-14/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyVDWULAIXCITFHY-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol (CID 62356826) is 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol is CC(C)=CCN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol?
The InChIKey is VDWULAIXCITFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)5-8-13-7-3-4-12(10-13)6-9-14/h5,12,14H,3-4,6-10H2,1-2H3.
What are the key properties of 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol?
2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbut-2-enyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 62356826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).