(4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

C20H23F2NO — CID 10042333

IUPAC(4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17,20,24H,9-14H2
InChIKeyKLCDGLISRKLICJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.95
Rot. Bonds5

About (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

(4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 10042333) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
PubChem CID10042333
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name(4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17,20,24H,9-14H2
InChIKeyKLCDGLISRKLICJ-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol (CID 10042333) is (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol is OC(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is KLCDGLISRKLICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c21-18-5-1-15(2-6-18)9-12-23-13-10-17(11-14-23)20(24)16-3-7-19(22)8-4-16/h1-8,17,20,24H,9-14H2.
What are the key properties of (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
(4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 331.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 10042333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).