1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol

C14H25NO — CID 79057985

IUPAC1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol
SMILESC=CCC(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2,13,16H,1,3-12H2
InChIKeyIFYYFPJURVHGBF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds4

About 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol

1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol (PubChem CID 79057985) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol
PubChem CID79057985
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol
SMILESC=CCC(O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H25NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2,13,16H,1,3-12H2
InChIKeyIFYYFPJURVHGBF-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
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-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol (CID 79057985) is 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol is C=CCC(O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol?
The InChIKey is IFYYFPJURVHGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-8-13(16)14(9-4-5-10-14)15-11-6-3-7-12-15/h2,13,16H,1,3-12H2.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol?
1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylcyclopentyl)but-3-en-1-ol is sourced from PubChem (CID 79057985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).