1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol

C20H23ClFNO — CID 67738355

IUPAC1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol
SMILESCC1CC(c2ccc(F)cc2)CCN1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFNO/c1-14-12-17(15-4-8-19(22)9-5-15)10-11-23(14)13-20(24)16-2-6-18(21)7-3-16/h2-9,14,17,20,24H,10-13H2,1H3
InChIKeyXZRLFRFAGCAWQV-UHFFFAOYSA-N
MW347.86 g/mol
LogP4.78
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol

1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol (PubChem CID 67738355) has the molecular formula C20H23ClFNO and a molecular weight of 347.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol
PubChem CID67738355
Molecular FormulaC20H23ClFNO
Molecular Weight347.86 g/mol
Exact Mass347.15
IUPAC Name1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol
SMILESCC1CC(c2ccc(F)cc2)CCN1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClFNO/c1-14-12-17(15-4-8-19(22)9-5-15)10-11-23(14)13-20(24)16-2-6-18(21)7-3-16/h2-9,14,17,20,24H,10-13H2,1H3
InChIKeyXZRLFRFAGCAWQV-UHFFFAOYSA-N
XLogP4.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol 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-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol (CID 67738355) is 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol is CC1CC(c2ccc(F)cc2)CCN1CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol?
The InChIKey is XZRLFRFAGCAWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO/c1-14-12-17(15-4-8-19(22)9-5-15)10-11-23(14)13-20(24)16-2-6-18(21)7-3-16/h2-9,14,17,20,24H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol?
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol has a molecular weight of 347.86 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol is sourced from PubChem (CID 67738355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).