2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile

C18H19FN4O — CID 56811490

IUPAC2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H19FN4O/c19-16-3-1-15(2-4-16)17(24)13-22-7-9-23(10-8-22)18-11-14(12-20)5-6-21-18/h1-6,11,17,24H,7-10,13H2
InChIKeyKKBDHHGGQMWLNL-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 56811490) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID56811490
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C18H19FN4O/c19-16-3-1-15(2-4-16)17(24)13-22-7-9-23(10-8-22)18-11-14(12-20)5-6-21-18/h1-6,11,17,24H,7-10,13H2
InChIKeyKKBDHHGGQMWLNL-UHFFFAOYSA-N
XLogP1.95
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11849179

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 56811490) is 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CC(O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is KKBDHHGGQMWLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-16-3-1-15(2-4-16)17(24)13-22-7-9-23(10-8-22)18-11-14(12-20)5-6-21-18/h1-6,11,17,24H,7-10,13H2.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 326.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56811490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).