1,2-di(piperidin-1-yl)ethene-1,2-diol

C12H22N2O2 — CID 15970102

IUPAC1,2-di(piperidin-1-yl)ethene-1,2-diol
SMILESOC(=C(O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(13-7-3-1-4-8-13)12(16)14-9-5-2-6-10-14/h15-16H,1-10H2
InChIKeyIBCKHOCUHLRNGW-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.20
Rot. Bonds2

About 1,2-di(piperidin-1-yl)ethene-1,2-diol

1,2-di(piperidin-1-yl)ethene-1,2-diol (PubChem CID 15970102) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,2-di(piperidin-1-yl)ethene-1,2-diol.

Molecular Properties

Compound Name1,2-di(piperidin-1-yl)ethene-1,2-diol
PubChem CID15970102
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,2-di(piperidin-1-yl)ethene-1,2-diol
SMILESOC(=C(O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(13-7-3-1-4-8-13)12(16)14-9-5-2-6-10-14/h15-16H,1-10H2
InChIKeyIBCKHOCUHLRNGW-UHFFFAOYSA-N
XLogP2.20
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 158853542
iodomethane;piperidine-1-carboxylic acid
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CID 175258529
(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
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1-prop-1-en-2-ylpiperidine
CID 12570653
piperidine-1-carboselenoate
CID 137316024
[amino(piperidin-1-yl)methylidene]tungsten
CID 59710014
(3Z)-2,4-dihydroxy-4-pyrrolidin-1-ylbuta-1,3-diene-1,1,3-tricarbonitrile
CID 164763675
carboxy piperidine-1-carboxylate
CID 154126035
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
cadmium(2+);bis(piperidine-1-carbodithioate)
CID 4196090

Frequently Asked Questions

What is the IUPAC name of 1,2-di(piperidin-1-yl)ethene-1,2-diol?
The IUPAC name of 1,2-di(piperidin-1-yl)ethene-1,2-diol (CID 15970102) is 1,2-di(piperidin-1-yl)ethene-1,2-diol.
What is the SMILES notation for 1,2-di(piperidin-1-yl)ethene-1,2-diol?
The canonical SMILES for 1,2-di(piperidin-1-yl)ethene-1,2-diol is OC(=C(O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1,2-di(piperidin-1-yl)ethene-1,2-diol?
The InChIKey is IBCKHOCUHLRNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11(13-7-3-1-4-8-13)12(16)14-9-5-2-6-10-14/h15-16H,1-10H2.
What are the key properties of 1,2-di(piperidin-1-yl)ethene-1,2-diol?
1,2-di(piperidin-1-yl)ethene-1,2-diol has a molecular weight of 226.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(piperidin-1-yl)ethene-1,2-diol is sourced from PubChem (CID 15970102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).