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

C15H26FNO2 — CID 143834975

IUPAC(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane
SMILESC=C/C=C(O)\C(=C/C)C(O)CN1CCCCC1.CF
InChIInChI=1S/C14H23NO2.CH3F/c1-3-8-13(16)12(4-2)14(17)11-15-9-6-5-7-10-15;1-2/h3-4,8,14,16-17H,1,5-7,9-11H2,2H3;1H3/b12-4+,13-8+;
InChIKeyOQMVWVQPPJUUFH-VKIQPLHASA-N
MW271.38 g/mol
LogP2.99
Rot. Bonds5

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

(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane (PubChem CID 143834975) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane.

Molecular Properties

Compound Name(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane
PubChem CID143834975
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Name(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane
SMILESC=C/C=C(O)\C(=C/C)C(O)CN1CCCCC1.CF
InChIInChI=1S/C14H23NO2.CH3F/c1-3-8-13(16)12(4-2)14(17)11-15-9-6-5-7-10-15;1-2/h3-4,8,14,16-17H,1,5-7,9-11H2,2H3;1H3/b12-4+,13-8+;
InChIKeyOQMVWVQPPJUUFH-VKIQPLHASA-N
XLogP2.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.99
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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Related Compounds

3-Fluoro-2-[hydroxy(piperidin-1-yl)methyl]cyclohepta-1,3,6-trien-1-ol
CID 144302238
(2S)-4-methyl-2-(piperidin-1-ylmethyl)cyclohexa-3,5-diene-1,3-diol
CID 71172701
Ethane;7-fluoro-2-methylcyclohepta-1,3-diene;1-methylpiperidin-3-ol
CID 143099799
(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol
CID 143551128
(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol
CID 143834976

Frequently Asked Questions

What is the IUPAC name of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane?
The IUPAC name of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane (CID 143834975) is (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane.
What is the SMILES notation for (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane?
The canonical SMILES for (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane is C=C/C=C(O)\C(=C/C)C(O)CN1CCCCC1.CF.
What is the InChIKey of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane?
The InChIKey is OQMVWVQPPJUUFH-VKIQPLHASA-N. The full InChI is InChI=1S/C14H23NO2.CH3F/c1-3-8-13(16)12(4-2)14(17)11-15-9-6-5-7-10-15;1-2/h3-4,8,14,16-17H,1,5-7,9-11H2,2H3;1H3/b12-4+,13-8+;.
What are the key properties of (3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane?
(3Z,4E)-3-ethylidene-1-piperidin-1-ylhepta-4,6-diene-2,4-diol;fluoromethane has a molecular weight of 271.38 g/mol, XLogP of 2.99, 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;fluoromethane is sourced from PubChem (CID 143834975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).