4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol

C11H21NO — CID 80702235

IUPAC4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CCN1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO/c1-10(2)4-7-12-8-5-11(3,13)6-9-12/h4,13H,5-9H2,1-3H3
InChIKeyKUHBVBAHJJLRPJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds2

About 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol

4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol (PubChem CID 80702235) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol
PubChem CID80702235
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CCN1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO/c1-10(2)4-7-12-8-5-11(3,13)6-9-12/h4,13H,5-9H2,1-3H3
InChIKeyKUHBVBAHJJLRPJ-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
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 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol (CID 80702235) is 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol is CC(C)=CCN1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The InChIKey is KUHBVBAHJJLRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)4-7-12-8-5-11(3,13)6-9-12/h4,13H,5-9H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbut-2-enyl)piperidin-4-ol is sourced from PubChem (CID 80702235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).