1-[4-(2-methylpropyl)piperidin-4-yl]ethenol

C11H21NO — CID 89333371

IUPAC1-[4-(2-methylpropyl)piperidin-4-yl]ethenol
SMILESC=C(O)C1(CC(C)C)CCNCC1
InChIInChI=1S/C11H21NO/c1-9(2)8-11(10(3)13)4-6-12-7-5-11/h9,12-13H,3-8H2,1-2H3
InChIKeyYDQXBOTUPSIOLA-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.47
Rot. Bonds3

About 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol

1-[4-(2-methylpropyl)piperidin-4-yl]ethenol (PubChem CID 89333371) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperidin-4-yl]ethenol
PubChem CID89333371
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[4-(2-methylpropyl)piperidin-4-yl]ethenol
SMILESC=C(O)C1(CC(C)C)CCNCC1
InChIInChI=1S/C11H21NO/c1-9(2)8-11(10(3)13)4-6-12-7-5-11/h9,12-13H,3-8H2,1-2H3
InChIKeyYDQXBOTUPSIOLA-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol?
The IUPAC name of 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol (CID 89333371) is 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol?
The canonical SMILES for 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol is C=C(O)C1(CC(C)C)CCNCC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol?
The InChIKey is YDQXBOTUPSIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-11(10(3)13)4-6-12-7-5-11/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol?
1-[4-(2-methylpropyl)piperidin-4-yl]ethenol has a molecular weight of 183.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperidin-4-yl]ethenol is sourced from PubChem (CID 89333371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).