piperidin-3-ol;propane-2,2-diol

C8H19NO3 — CID 142962358

IUPACpiperidin-3-ol;propane-2,2-diol
SMILESCC(C)(O)O.OC1CCCNC1
InChIInChI=1S/C5H11NO.C3H8O2/c7-5-2-1-3-6-4-5;1-3(2,4)5/h5-7H,1-4H2;4-5H,1-2H3
InChIKeyHGOFCLCEQSMWJL-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.56
Rot. Bonds

About piperidin-3-ol;propane-2,2-diol

piperidin-3-ol;propane-2,2-diol (PubChem CID 142962358) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is piperidin-3-ol;propane-2,2-diol.

Molecular Properties

Compound Namepiperidin-3-ol;propane-2,2-diol
PubChem CID142962358
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Namepiperidin-3-ol;propane-2,2-diol
SMILESCC(C)(O)O.OC1CCCNC1
InChIInChI=1S/C5H11NO.C3H8O2/c7-5-2-1-3-6-4-5;1-3(2,4)5/h5-7H,1-4H2;4-5H,1-2H3
InChIKeyHGOFCLCEQSMWJL-UHFFFAOYSA-N
XLogP-0.56
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze piperidin-3-ol;propane-2,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-3-ol;dihydrochloride
CID 67374500
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
piperidin-3-ol;triethylborane
CID 159801081
tert-butyl formate;(3R)-piperidin-3-ol
CID 158926595
oxalic acid;piperidin-3-ol
CID 162306197
pyrrolidine;(3S)-pyrrolidin-3-ol
CID 67190741
1,5-diazocan-3-ol
CID 71359715
pyrrolidin-3-ol;yttrium
CID 171793712
pyrrolidin-3-ol;uranium
CID 143428396
4-methyl-2-piperidin-3-ylpent-3-en-2-ol
CID 79190336
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ol;propane-2,2-diol?
The IUPAC name of piperidin-3-ol;propane-2,2-diol (CID 142962358) is piperidin-3-ol;propane-2,2-diol.
What is the SMILES notation for piperidin-3-ol;propane-2,2-diol?
The canonical SMILES for piperidin-3-ol;propane-2,2-diol is CC(C)(O)O.OC1CCCNC1.
What is the InChIKey of piperidin-3-ol;propane-2,2-diol?
The InChIKey is HGOFCLCEQSMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H8O2/c7-5-2-1-3-6-4-5;1-3(2,4)5/h5-7H,1-4H2;4-5H,1-2H3.
What are the key properties of piperidin-3-ol;propane-2,2-diol?
piperidin-3-ol;propane-2,2-diol has a molecular weight of 177.24 g/mol, XLogP of -0.56, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ol;propane-2,2-diol is sourced from PubChem (CID 142962358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).