1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H22FNO2 — CID 4565713

IUPAC1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2/c1-12-6-8-17(9-7-12)10-14(18)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,18H,6-11H2,1H3
InChIKeyIBDZWWPLDGLSNK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 4565713) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID4565713
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2/c1-12-6-8-17(9-7-12)10-14(18)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,18H,6-11H2,1H3
InChIKeyIBDZWWPLDGLSNK-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol 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 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 4565713) is 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is IBDZWWPLDGLSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12-6-8-17(9-7-12)10-14(18)11-19-15-4-2-13(16)3-5-15/h2-5,12,14,18H,6-11H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 4565713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).