actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol

C11H19Ac2NO2 — CID 20696716

IUPACactinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol
SMILESC#CCCC(O)C1CN(C)CCC1O.[Ac].[Ac]
InChIInChI=1S/C11H19NO2.2Ac/c1-3-4-5-10(13)9-8-12(2)7-6-11(9)14;;/h1,9-11,13-14H,4-8H2,2H3;;
InChIKeyIIYKGVHRRLKCEI-UHFFFAOYSA-N
MW651.28 g/mol
LogP0.07
Rot. Bonds3

About actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol

actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol (PubChem CID 20696716) has the molecular formula C11H19Ac2NO2 and a molecular weight of 651.28 g/mol. Its IUPAC name is actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Nameactinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol
PubChem CID20696716
Molecular FormulaC11H19Ac2NO2
Molecular Weight651.28 g/mol
Exact Mass651.20
IUPAC Nameactinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol
SMILESC#CCCC(O)C1CN(C)CCC1O.[Ac].[Ac]
InChIInChI=1S/C11H19NO2.2Ac/c1-3-4-5-10(13)9-8-12(2)7-6-11(9)14;;/h1,9-11,13-14H,4-8H2,2H3;;
InChIKeyIIYKGVHRRLKCEI-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

actinium;3-[(E)-1-hydroxy-5-iodopent-4-enyl]-1-methylpiperidin-4-ol
CID 20696727
3-[(E)-1-hydroxyhex-4-enyl]-1-methylpiperidin-4-ol
CID 20696726
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-ol
CID 112680933
1-(4-propan-2-ylcyclohexyl)pent-4-yn-1-ol
CID 65423161
1-cyclopentylpent-4-yn-1-ol
CID 63657478
1-cyclohexylpent-4-yn-1-ol
CID 63657295
actinium;3-[(E)-5-(123I)iodo-1-methoxypent-4-enyl]-1-methylpiperidin-4-ol
CID 59971179
1-but-3-ynyl-3-ethylpiperidin-4-ol
CID 114511006
1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-ol
CID 105124670
1-(4-butylcyclohexyl)pent-4-yn-1-ol
CID 115799427
3-ethynyl-1-methylpyrrolidine
CID 89319838
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108

Frequently Asked Questions

What is the IUPAC name of actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol?
The IUPAC name of actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol (CID 20696716) is actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol?
The canonical SMILES for actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol is C#CCCC(O)C1CN(C)CCC1O.[Ac].[Ac].
What is the InChIKey of actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol?
The InChIKey is IIYKGVHRRLKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.2Ac/c1-3-4-5-10(13)9-8-12(2)7-6-11(9)14;;/h1,9-11,13-14H,4-8H2,2H3;;.
What are the key properties of actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol?
actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol has a molecular weight of 651.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-(1-hydroxypent-4-ynyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 20696716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).