2-methyl-4-piperidin-1-ylpent-2-en-1-ol

C11H21NO — CID 130127322

IUPAC2-methyl-4-piperidin-1-ylpent-2-en-1-ol
SMILESCC(=CC(C)N1CCCCC1)CO
InChIInChI=1S/C11H21NO/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h8,11,13H,3-7,9H2,1-2H3
InChIKeyURVYASISFHJECU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-4-piperidin-1-ylpent-2-en-1-ol

2-methyl-4-piperidin-1-ylpent-2-en-1-ol (PubChem CID 130127322) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-ylpent-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-ylpent-2-en-1-ol
PubChem CID130127322
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methyl-4-piperidin-1-ylpent-2-en-1-ol
SMILESCC(=CC(C)N1CCCCC1)CO
InChIInChI=1S/C11H21NO/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h8,11,13H,3-7,9H2,1-2H3
InChIKeyURVYASISFHJECU-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-methyl-4-piperidin-1-ylpent-2-en-1-ol?
The IUPAC name of 2-methyl-4-piperidin-1-ylpent-2-en-1-ol (CID 130127322) is 2-methyl-4-piperidin-1-ylpent-2-en-1-ol.
What is the SMILES notation for 2-methyl-4-piperidin-1-ylpent-2-en-1-ol?
The canonical SMILES for 2-methyl-4-piperidin-1-ylpent-2-en-1-ol is CC(=CC(C)N1CCCCC1)CO.
What is the InChIKey of 2-methyl-4-piperidin-1-ylpent-2-en-1-ol?
The InChIKey is URVYASISFHJECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 2-methyl-4-piperidin-1-ylpent-2-en-1-ol?
2-methyl-4-piperidin-1-ylpent-2-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-ylpent-2-en-1-ol is sourced from PubChem (CID 130127322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).