sodium;boranuide;3,3-dibutylpiperidin-4-ol

C13H31BNNaO — CID 173274900

IUPACsodium;boranuide;3,3-dibutylpiperidin-4-ol
SMILESCCCCC1(CCCC)CNCCC1O.[BH4-].[Na+]
InChIInChI=1S/C13H27NO.BH4.Na/c1-3-5-8-13(9-6-4-2)11-14-10-7-12(13)15;;/h12,14-15H,3-11H2,1-2H3;1H4;/q;-1;+1
InChIKeyDOXODFNXFACWBW-UHFFFAOYSA-N
MW251.20 g/mol
LogP-1.74
Rot. Bonds6

About sodium;boranuide;3,3-dibutylpiperidin-4-ol

sodium;boranuide;3,3-dibutylpiperidin-4-ol (PubChem CID 173274900) has the molecular formula C13H31BNNaO and a molecular weight of 251.20 g/mol. Its IUPAC name is sodium;boranuide;3,3-dibutylpiperidin-4-ol.

Molecular Properties

Compound Namesodium;boranuide;3,3-dibutylpiperidin-4-ol
PubChem CID173274900
Molecular FormulaC13H31BNNaO
Molecular Weight251.20 g/mol
Exact Mass251.24
IUPAC Namesodium;boranuide;3,3-dibutylpiperidin-4-ol
SMILESCCCCC1(CCCC)CNCCC1O.[BH4-].[Na+]
InChIInChI=1S/C13H27NO.BH4.Na/c1-3-5-8-13(9-6-4-2)11-14-10-7-12(13)15;;/h12,14-15H,3-11H2,1-2H3;1H4;/q;-1;+1
InChIKeyDOXODFNXFACWBW-UHFFFAOYSA-N
XLogP-1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-(hydroxymethyl)cyclooctan-1-ol
CID 139913828
3-methylpiperidine-3,4-diol
CID 70672277
(3,3-diethylpiperidin-4-yl)methanol
CID 84654170
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
2-butyl-2-ethylcyclohexane-1,3-diol
CID 175397332
3-butyl-3-fluoropyrrolidine
CID 112564219
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
6-azaspiro[3.5]nonan-9-ol
CID 82418041
4,4-dibutylcyclohexan-1-ol
CID 154113333
1,1-dibutyl-2-ethylcyclobutane
CID 123938978
2,2-dibutyl-1,1-dimethylpiperazin-1-ium
CID 67229366
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284

Frequently Asked Questions

What is the IUPAC name of sodium;boranuide;3,3-dibutylpiperidin-4-ol?
The IUPAC name of sodium;boranuide;3,3-dibutylpiperidin-4-ol (CID 173274900) is sodium;boranuide;3,3-dibutylpiperidin-4-ol.
What is the SMILES notation for sodium;boranuide;3,3-dibutylpiperidin-4-ol?
The canonical SMILES for sodium;boranuide;3,3-dibutylpiperidin-4-ol is CCCCC1(CCCC)CNCCC1O.[BH4-].[Na+].
What is the InChIKey of sodium;boranuide;3,3-dibutylpiperidin-4-ol?
The InChIKey is DOXODFNXFACWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.BH4.Na/c1-3-5-8-13(9-6-4-2)11-14-10-7-12(13)15;;/h12,14-15H,3-11H2,1-2H3;1H4;/q;-1;+1.
What are the key properties of sodium;boranuide;3,3-dibutylpiperidin-4-ol?
sodium;boranuide;3,3-dibutylpiperidin-4-ol has a molecular weight of 251.20 g/mol, XLogP of -1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boranuide;3,3-dibutylpiperidin-4-ol is sourced from PubChem (CID 173274900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).