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

C10H17NO2 — CID 142933357

IUPAC(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
SMILESC/C(O)=C(O)\C=C1\CCNC(C)C1
InChIInChI=1S/C10H17NO2/c1-7-5-9(3-4-11-7)6-10(13)8(2)12/h6-7,11-13H,3-5H2,1-2H3/b9-6-,10-8-
InChIKeyDWHKOYHALMXDQT-PTKGMRGESA-N
MW183.25 g/mol
LogP2.03
Rot. Bonds1

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

(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol (PubChem CID 142933357) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol.

Molecular Properties

Compound Name(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
PubChem CID142933357
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
SMILESC/C(O)=C(O)\C=C1\CCNC(C)C1
InChIInChI=1S/C10H17NO2/c1-7-5-9(3-4-11-7)6-10(13)8(2)12/h6-7,11-13H,3-5H2,1-2H3/b9-6-,10-8-
InChIKeyDWHKOYHALMXDQT-PTKGMRGESA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.03
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
ethane;(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol
CID 142933356
(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

Frequently Asked Questions

What is the IUPAC name of (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
The IUPAC name of (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol (CID 142933357) is (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol.
What is the SMILES notation for (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
The canonical SMILES for (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol is C/C(O)=C(O)\C=C1\CCNC(C)C1.
What is the InChIKey of (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
The InChIKey is DWHKOYHALMXDQT-PTKGMRGESA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-9(3-4-11-7)6-10(13)8(2)12/h6-7,11-13H,3-5H2,1-2H3/b9-6-,10-8-.
What are the key properties of (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol?
(Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol has a molecular weight of 183.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1Z)-1-(2-methylpiperidin-4-ylidene)but-2-ene-2,3-diol is sourced from PubChem (CID 142933357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).