(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol

C11H19NO2 — CID 129131545

IUPAC(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol
SMILESC/C=C(C(\O)=C/CO)/C1CCNCC1
InChIInChI=1S/C11H19NO2/c1-2-10(11(14)5-8-13)9-3-6-12-7-4-9/h2,5,9,12-14H,3-4,6-8H2,1H3/b10-2-,11-5+
InChIKeyRBROWFOKSMXIPO-WCNSZCHOSA-N
MW197.28 g/mol
LogP1.37
Rot. Bonds3

About (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol

(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol (PubChem CID 129131545) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol.

Molecular Properties

Compound Name(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol
PubChem CID129131545
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol
SMILESC/C=C(C(\O)=C/CO)/C1CCNCC1
InChIInChI=1S/C11H19NO2/c1-2-10(11(14)5-8-13)9-3-6-12-7-4-9/h2,5,9,12-14H,3-4,6-8H2,1H3/b10-2-,11-5+
InChIKeyRBROWFOKSMXIPO-WCNSZCHOSA-N
XLogP1.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol?
The IUPAC name of (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol (CID 129131545) is (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol.
What is the SMILES notation for (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol?
The canonical SMILES for (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol is C/C=C(C(\O)=C/CO)/C1CCNCC1.
What is the InChIKey of (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol?
The InChIKey is RBROWFOKSMXIPO-WCNSZCHOSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10(11(14)5-8-13)9-3-6-12-7-4-9/h2,5,9,12-14H,3-4,6-8H2,1H3/b10-2-,11-5+.
What are the key properties of (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol?
(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol has a molecular weight of 197.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol is sourced from PubChem (CID 129131545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).