bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol

C23H22F2N2O — CID 15993174

IUPACbis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C23H22F2N2O/c24-19-10-6-17(7-11-19)23(28,18-8-12-20(25)13-9-18)21-5-4-14-26-22(21)27-15-2-1-3-16-27/h4-14,28H,1-3,15-16H2
InChIKeyZQTWMFMEBOKYQZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.63
Rot. Bonds4

About bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol

bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol (PubChem CID 15993174) has the molecular formula C23H22F2N2O and a molecular weight of 380.44 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol
PubChem CID15993174
Molecular FormulaC23H22F2N2O
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namebis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol
SMILESOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C23H22F2N2O/c24-19-10-6-17(7-11-19)23(28,18-8-12-20(25)13-9-18)21-5-4-14-26-22(21)27-15-2-1-3-16-27/h4-14,28H,1-3,15-16H2
InChIKeyZQTWMFMEBOKYQZ-UHFFFAOYSA-N
XLogP4.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol?
The IUPAC name of bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol (CID 15993174) is bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol?
The canonical SMILES for bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol is OC(c1ccc(F)cc1)(c1ccc(F)cc1)c1cccnc1N1CCCCC1.
What is the InChIKey of bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol?
The InChIKey is ZQTWMFMEBOKYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O/c24-19-10-6-17(7-11-19)23(28,18-8-12-20(25)13-9-18)21-5-4-14-26-22(21)27-15-2-1-3-16-27/h4-14,28H,1-3,15-16H2.
What are the key properties of bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol?
bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol has a molecular weight of 380.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(2-piperidin-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 15993174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).