acetic acid;6-piperidin-1-ylhex-4-yn-2-ol

C13H23NO3 — CID 2865299

IUPACacetic acid;6-piperidin-1-ylhex-4-yn-2-ol
SMILESCC(=O)O.CC(O)CC#CCN1CCCCC1
InChIInChI=1S/C11H19NO.C2H4O2/c1-11(13)7-3-6-10-12-8-4-2-5-9-12;1-2(3)4/h11,13H,2,4-5,7-10H2,1H3;1H3,(H,3,4)
InChIKeyOXJZYOBQLOWMGQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.34
Rot. Bonds2

About acetic acid;6-piperidin-1-ylhex-4-yn-2-ol

acetic acid;6-piperidin-1-ylhex-4-yn-2-ol (PubChem CID 2865299) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is acetic acid;6-piperidin-1-ylhex-4-yn-2-ol.

Molecular Properties

Compound Nameacetic acid;6-piperidin-1-ylhex-4-yn-2-ol
PubChem CID2865299
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameacetic acid;6-piperidin-1-ylhex-4-yn-2-ol
SMILESCC(=O)O.CC(O)CC#CCN1CCCCC1
InChIInChI=1S/C11H19NO.C2H4O2/c1-11(13)7-3-6-10-12-8-4-2-5-9-12;1-2(3)4/h11,13H,2,4-5,7-10H2,1H3;1H3,(H,3,4)
InChIKeyOXJZYOBQLOWMGQ-UHFFFAOYSA-N
XLogP1.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 acetic acid;6-piperidin-1-ylhex-4-yn-2-ol?
The IUPAC name of acetic acid;6-piperidin-1-ylhex-4-yn-2-ol (CID 2865299) is acetic acid;6-piperidin-1-ylhex-4-yn-2-ol.
What is the SMILES notation for acetic acid;6-piperidin-1-ylhex-4-yn-2-ol?
The canonical SMILES for acetic acid;6-piperidin-1-ylhex-4-yn-2-ol is CC(=O)O.CC(O)CC#CCN1CCCCC1.
What is the InChIKey of acetic acid;6-piperidin-1-ylhex-4-yn-2-ol?
The InChIKey is OXJZYOBQLOWMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C2H4O2/c1-11(13)7-3-6-10-12-8-4-2-5-9-12;1-2(3)4/h11,13H,2,4-5,7-10H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-piperidin-1-ylhex-4-yn-2-ol?
acetic acid;6-piperidin-1-ylhex-4-yn-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-piperidin-1-ylhex-4-yn-2-ol is sourced from PubChem (CID 2865299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).