4-but-3-ynylpiperidin-4-ol

C9H15NO — CID 63656510

IUPAC4-but-3-ynylpiperidin-4-ol
SMILESC#CCCC1(O)CCNCC1
InChIInChI=1S/C9H15NO/c1-2-3-4-9(11)5-7-10-8-6-9/h1,10-11H,3-8H2
InChIKeyGLNBQBCFZLHOKB-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.51
Rot. Bonds2

About 4-but-3-ynylpiperidin-4-ol

4-but-3-ynylpiperidin-4-ol (PubChem CID 63656510) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-but-3-ynylpiperidin-4-ol.

Molecular Properties

Compound Name4-but-3-ynylpiperidin-4-ol
PubChem CID63656510
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-but-3-ynylpiperidin-4-ol
SMILESC#CCCC1(O)CCNCC1
InChIInChI=1S/C9H15NO/c1-2-3-4-9(11)5-7-10-8-6-9/h1,10-11H,3-8H2
InChIKeyGLNBQBCFZLHOKB-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-ynylpiperidin-4-ol?
The IUPAC name of 4-but-3-ynylpiperidin-4-ol (CID 63656510) is 4-but-3-ynylpiperidin-4-ol.
What is the SMILES notation for 4-but-3-ynylpiperidin-4-ol?
The canonical SMILES for 4-but-3-ynylpiperidin-4-ol is C#CCCC1(O)CCNCC1.
What is the InChIKey of 4-but-3-ynylpiperidin-4-ol?
The InChIKey is GLNBQBCFZLHOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-9(11)5-7-10-8-6-9/h1,10-11H,3-8H2.
What are the key properties of 4-but-3-ynylpiperidin-4-ol?
4-but-3-ynylpiperidin-4-ol has a molecular weight of 153.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-ynylpiperidin-4-ol is sourced from PubChem (CID 63656510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).