(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol

C14H23NO2 — CID 143834976

IUPAC(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol
SMILESC=C/C=C(O)\C(=C/C)C(O)CN1CCCCC1
InChIInChI=1S/C14H23NO2/c1-3-8-13(16)12(4-2)14(17)11-15-9-6-5-7-10-15/h3-4,8,14,16-17H,1,5-7,9-11H2,2H3/b12-4+,13-8+
InChIKeyFLMZDGQVSFIGKS-KMIQJRPCSA-N
MW237.34 g/mol
LogP2.41
Rot. Bonds5

About (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol

(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol (PubChem CID 143834976) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol.

Molecular Properties

Compound Name(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol
PubChem CID143834976
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol
SMILESC=C/C=C(O)\C(=C/C)C(O)CN1CCCCC1
InChIInChI=1S/C14H23NO2/c1-3-8-13(16)12(4-2)14(17)11-15-9-6-5-7-10-15/h3-4,8,14,16-17H,1,5-7,9-11H2,2H3/b12-4+,13-8+
InChIKeyFLMZDGQVSFIGKS-KMIQJRPCSA-N
XLogP2.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
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 (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol?
The IUPAC name of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol (CID 143834976) is (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol.
What is the SMILES notation for (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol?
The canonical SMILES for (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol is C=C/C=C(O)\C(=C/C)C(O)CN1CCCCC1.
What is the InChIKey of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol?
The InChIKey is FLMZDGQVSFIGKS-KMIQJRPCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-13(16)12(4-2)14(17)11-15-9-6-5-7-10-15/h3-4,8,14,16-17H,1,5-7,9-11H2,2H3/b12-4+,13-8+.
What are the key properties of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol?
(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol has a molecular weight of 237.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol is sourced from PubChem (CID 143834976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).