4-fluoro-2-(1-piperidin-1-ylethyl)phenol

C13H18FNO — CID 58180848

IUPAC4-fluoro-2-(1-piperidin-1-ylethyl)phenol
SMILESCC(c1cc(F)ccc1O)N1CCCCC1
InChIInChI=1S/C13H18FNO/c1-10(15-7-3-2-4-8-15)12-9-11(14)5-6-13(12)16/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKeyKBKNHMAUSWNUEA-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.08
Rot. Bonds2

About 4-fluoro-2-(1-piperidin-1-ylethyl)phenol

4-fluoro-2-(1-piperidin-1-ylethyl)phenol (PubChem CID 58180848) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-2-(1-piperidin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1-piperidin-1-ylethyl)phenol
PubChem CID58180848
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-2-(1-piperidin-1-ylethyl)phenol
SMILESCC(c1cc(F)ccc1O)N1CCCCC1
InChIInChI=1S/C13H18FNO/c1-10(15-7-3-2-4-8-15)12-9-11(14)5-6-13(12)16/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKeyKBKNHMAUSWNUEA-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-fluoro-2-(1-piperidin-1-ylethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-piperidin-1-ylethyl)phenol?
The IUPAC name of 4-fluoro-2-(1-piperidin-1-ylethyl)phenol (CID 58180848) is 4-fluoro-2-(1-piperidin-1-ylethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(1-piperidin-1-ylethyl)phenol?
The canonical SMILES for 4-fluoro-2-(1-piperidin-1-ylethyl)phenol is CC(c1cc(F)ccc1O)N1CCCCC1.
What is the InChIKey of 4-fluoro-2-(1-piperidin-1-ylethyl)phenol?
The InChIKey is KBKNHMAUSWNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(15-7-3-2-4-8-15)12-9-11(14)5-6-13(12)16/h5-6,9-10,16H,2-4,7-8H2,1H3.
What are the key properties of 4-fluoro-2-(1-piperidin-1-ylethyl)phenol?
4-fluoro-2-(1-piperidin-1-ylethyl)phenol has a molecular weight of 223.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-piperidin-1-ylethyl)phenol is sourced from PubChem (CID 58180848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).