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

C11H21NO — CID 70596074

IUPAC1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CCC1CN(C)CCC1O
InChIInChI=1S/C11H21NO/c1-9(2)4-5-10-8-12(3)7-6-11(10)13/h4,10-11,13H,5-8H2,1-3H3
InChIKeyYSDKNWFDPBUBJT-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds2

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

1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol (PubChem CID 70596074) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
PubChem CID70596074
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CCC1CN(C)CCC1O
InChIInChI=1S/C11H21NO/c1-9(2)4-5-10-8-12(3)7-6-11(10)13/h4,10-11,13H,5-8H2,1-3H3
InChIKeyYSDKNWFDPBUBJT-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
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 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
The IUPAC name of 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol (CID 70596074) is 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol.
What is the SMILES notation for 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
The canonical SMILES for 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol is CC(C)=CCC1CN(C)CCC1O.
What is the InChIKey of 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
The InChIKey is YSDKNWFDPBUBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)4-5-10-8-12(3)7-6-11(10)13/h4,10-11,13H,5-8H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol?
1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol is sourced from PubChem (CID 70596074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).