1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol

C25H28FN3O2 — CID 24986483

IUPAC1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(CCc3ccc(OCc4ccc(F)cc4)nn3)cc2)CC1
InChIInChI=1S/C25H28FN3O2/c26-22-8-5-21(6-9-22)18-31-25-12-11-23(27-28-25)10-7-19-1-3-20(4-2-19)17-29-15-13-24(30)14-16-29/h1-6,8-9,11-12,24,30H,7,10,13-18H2
InChIKeyKONRTSHKSOOTPN-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.94
Rot. Bonds8

About 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol

1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol (PubChem CID 24986483) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol
PubChem CID24986483
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(CCc3ccc(OCc4ccc(F)cc4)nn3)cc2)CC1
InChIInChI=1S/C25H28FN3O2/c26-22-8-5-21(6-9-22)18-31-25-12-11-23(27-28-25)10-7-19-1-3-20(4-2-19)17-29-15-13-24(30)14-16-29/h1-6,8-9,11-12,24,30H,7,10,13-18H2
InChIKeyKONRTSHKSOOTPN-UHFFFAOYSA-N
XLogP3.94
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol (CID 24986483) is 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(CCc3ccc(OCc4ccc(F)cc4)nn3)cc2)CC1.
What is the InChIKey of 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is KONRTSHKSOOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-22-8-5-21(6-9-22)18-31-25-12-11-23(27-28-25)10-7-19-1-3-20(4-2-19)17-29-15-13-24(30)14-16-29/h1-6,8-9,11-12,24,30H,7,10,13-18H2.
What are the key properties of 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol?
1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 421.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-[6-[(4-fluorophenyl)methoxy]pyridazin-3-yl]ethyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 24986483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).