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

C13H25NO — CID 114338178

IUPAC1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol
SMILESCC(C)=CCN1CCCCC1CC(C)O
InChIInChI=1S/C13H25NO/c1-11(2)7-9-14-8-5-4-6-13(14)10-12(3)15/h7,12-13,15H,4-6,8-10H2,1-3H3
InChIKeyMGWRAGZYDAEUAD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

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

1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol (PubChem CID 114338178) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol
PubChem CID114338178
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol
SMILESCC(C)=CCN1CCCCC1CC(C)O
InChIInChI=1S/C13H25NO/c1-11(2)7-9-14-8-5-4-6-13(14)10-12(3)15/h7,12-13,15H,4-6,8-10H2,1-3H3
InChIKeyMGWRAGZYDAEUAD-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 135075681
2,2-Diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
CID 20501070
2,2,6,6-Tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
CID 20501071
2-Ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
CID 20501080
2,2-Dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-ol
CID 20501085
8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769771
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-2-yl]ethanol
CID 144430928
ethene;2-[1-[(E)-2-ethenylbut-2-enyl]piperidin-2-yl]ethanol
CID 144575343
(2S,4S)-1,1-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]piperidin-1-ium-4-ol
CID 15748169
(2S,4S)-1,1-dimethyl-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]piperidin-1-ium-4-ol
CID 15748171
[1-(3-Methylbut-2-enyl)piperidin-2-yl]methanol
CID 60685105
2-(1-Prop-2-enylpiperidin-2-yl)ethanol
CID 60690461

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol (CID 114338178) is 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol is CC(C)=CCN1CCCCC1CC(C)O.
What is the InChIKey of 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol?
The InChIKey is MGWRAGZYDAEUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)7-9-14-8-5-4-6-13(14)10-12(3)15/h7,12-13,15H,4-6,8-10H2,1-3H3.
What are the key properties of 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol?
1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbut-2-enyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).