2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol

C20H23ClFNO2 — CID 23362133

IUPAC2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol
SMILESOC1CCN(CCC(O)c2ccc(F)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClFNO2/c21-16-5-1-14(2-6-16)19-13-18(24)9-11-23(19)12-10-20(25)15-3-7-17(22)8-4-15/h1-8,18-20,24-25H,9-13H2
InChIKeySLNPZJYZELQJSU-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol

2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol (PubChem CID 23362133) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol
PubChem CID23362133
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol
SMILESOC1CCN(CCC(O)c2ccc(F)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClFNO2/c21-16-5-1-14(2-6-16)19-13-18(24)9-11-23(19)12-10-20(25)15-3-7-17(22)8-4-15/h1-8,18-20,24-25H,9-13H2
InChIKeySLNPZJYZELQJSU-UHFFFAOYSA-N
XLogP4.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol (CID 23362133) is 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol is OC1CCN(CCC(O)c2ccc(F)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The InChIKey is SLNPZJYZELQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO2/c21-16-5-1-14(2-6-16)19-13-18(24)9-11-23(19)12-10-20(25)15-3-7-17(22)8-4-15/h1-8,18-20,24-25H,9-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol?
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol has a molecular weight of 363.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 23362133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).