3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol

C24H26FN3O — CID 175689591

IUPAC3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol
SMILESOc1cccc(N(c2cccnc2)C2CCN(CCc3ccccc3F)CC2)c1
InChIInChI=1S/C24H26FN3O/c25-24-9-2-1-5-19(24)10-14-27-15-11-20(12-16-27)28(22-7-4-13-26-18-22)21-6-3-8-23(29)17-21/h1-9,13,17-18,20,29H,10-12,14-16H2
InChIKeyVMRVULXDCJCPHG-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.77
Rot. Bonds6

About 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol

3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol (PubChem CID 175689591) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol.

Molecular Properties

Compound Name3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol
PubChem CID175689591
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol
SMILESOc1cccc(N(c2cccnc2)C2CCN(CCc3ccccc3F)CC2)c1
InChIInChI=1S/C24H26FN3O/c25-24-9-2-1-5-19(24)10-14-27-15-11-20(12-16-27)28(22-7-4-13-26-18-22)21-6-3-8-23(29)17-21/h1-9,13,17-18,20,29H,10-12,14-16H2
InChIKeyVMRVULXDCJCPHG-UHFFFAOYSA-N
XLogP4.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol?
The IUPAC name of 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol (CID 175689591) is 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol.
What is the SMILES notation for 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol?
The canonical SMILES for 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol is Oc1cccc(N(c2cccnc2)C2CCN(CCc3ccccc3F)CC2)c1.
What is the InChIKey of 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol?
The InChIKey is VMRVULXDCJCPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-24-9-2-1-5-19(24)10-14-27-15-11-20(12-16-27)28(22-7-4-13-26-18-22)21-6-3-8-23(29)17-21/h1-9,13,17-18,20,29H,10-12,14-16H2.
What are the key properties of 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol?
3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol has a molecular weight of 391.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-pyridin-3-ylamino]phenol is sourced from PubChem (CID 175689591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).