1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol

C14H18FNO — CID 143171275

IUPAC1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol
SMILESC=C(O)c1cc(F)cc(N2CCC(C)CC2)c1
InChIInChI=1S/C14H18FNO/c1-10-3-5-16(6-4-10)14-8-12(11(2)17)7-13(15)9-14/h7-10,17H,2-6H2,1H3
InChIKeyBKLOLYDMZKOBMI-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.59
Rot. Bonds2

About 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol

1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol (PubChem CID 143171275) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol.

Molecular Properties

Compound Name1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol
PubChem CID143171275
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol
SMILESC=C(O)c1cc(F)cc(N2CCC(C)CC2)c1
InChIInChI=1S/C14H18FNO/c1-10-3-5-16(6-4-10)14-8-12(11(2)17)7-13(15)9-14/h7-10,17H,2-6H2,1H3
InChIKeyBKLOLYDMZKOBMI-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol?
The IUPAC name of 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol (CID 143171275) is 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol.
What is the SMILES notation for 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol?
The canonical SMILES for 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol is C=C(O)c1cc(F)cc(N2CCC(C)CC2)c1.
What is the InChIKey of 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol?
The InChIKey is BKLOLYDMZKOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-3-5-16(6-4-10)14-8-12(11(2)17)7-13(15)9-14/h7-10,17H,2-6H2,1H3.
What are the key properties of 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol?
1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol has a molecular weight of 235.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol is sourced from PubChem (CID 143171275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).