ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol

C12H23NO2 — CID 142933356

IUPACethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
SMILESC/C(O)=C(O)\C=C1\CCNC(C)C1.CC
InChIInChI=1S/C10H17NO2.C2H6/c1-7-5-9(3-4-11-7)6-10(13)8(2)12;1-2/h6-7,11-13H,3-5H2,1-2H3;1-2H3/b9-6-,10-8-;
InChIKeyWQGUQYHPKZKGLV-SXHUHTSVSA-N
MW213.32 g/mol
LogP3.06
Rot. Bonds1

About ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol

ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol (PubChem CID 142933356) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol.

Molecular Properties

Compound Nameethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
PubChem CID142933356
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
SMILESC/C(O)=C(O)\C=C1\CCNC(C)C1.CC
InChIInChI=1S/C10H17NO2.C2H6/c1-7-5-9(3-4-11-7)6-10(13)8(2)12;1-2/h6-7,11-13H,3-5H2,1-2H3;1-2H3/b9-6-,10-8-;
InChIKeyWQGUQYHPKZKGLV-SXHUHTSVSA-N
XLogP3.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(2-Fluoro-2-methylpropyl)amino]propyl]-6-methylcyclohexa-1,5-dien-1-ol
CID 134447282
1,2,3,4,4a,5,6,10-Octahydrobenzo[f]quinolin-7-ol
CID 19102623
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
(2Z)-2-(2-methylpiperidin-4-ylidene)ethanol
CID 118372437
2-(2-Methylpiperidin-4-ylidene)ethanol
CID 123883502
(2Z,4Z)-6-methyl-5-[2-(methylamino)ethyl]hepta-2,4,6-triene-2,3-diol
CID 126729831
3-Methyl-5-piperidin-4-ylcyclohepta-1,4,6-trien-1-ol
CID 141950511
2-Butyl-3-(hydroxymethylamino)cyclohexa-1,5-dien-1-ol
CID 142193874
(3E,5Z)-4-methyl-5-(2-methylpiperidin-4-ylidene)penta-1,3-dien-3-ol
CID 142933374
ethane;(3Z)-7-(methylamino)-5-methylideneocta-1,3-dien-2-ol
CID 143929063
5-Methyl-2-(piperidin-4-ylamino)cyclohexa-1,5-dien-1-ol
CID 144210560
(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol
CID 144511721

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
The IUPAC name of ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol (CID 142933356) is ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol.
What is the SMILES notation for ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
The canonical SMILES for ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol is C/C(O)=C(O)\C=C1\CCNC(C)C1.CC.
What is the InChIKey of ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
The InChIKey is WQGUQYHPKZKGLV-SXHUHTSVSA-N. The full InChI is InChI=1S/C10H17NO2.C2H6/c1-7-5-9(3-4-11-7)6-10(13)8(2)12;1-2/h6-7,11-13H,3-5H2,1-2H3;1-2H3/b9-6-,10-8-;.
What are the key properties of ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol has a molecular weight of 213.32 g/mol, XLogP of 3.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol is sourced from PubChem (CID 142933356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).