2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

C17H17FN4 — CID 31618852

IUPAC2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H17FN4/c18-16-6-2-1-4-15(16)13-21-8-10-22(11-9-21)17-14(12-19)5-3-7-20-17/h1-7H,8-11,13H2
InChIKeyYUHLOGWGBKBFMI-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.41
Rot. Bonds3

About 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 31618852) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID31618852
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H17FN4/c18-16-6-2-1-4-15(16)13-21-8-10-22(11-9-21)17-14(12-19)5-3-7-20-17/h1-7H,8-11,13H2
InChIKeyYUHLOGWGBKBFMI-UHFFFAOYSA-N
XLogP2.41
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 31618852) is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YUHLOGWGBKBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c18-16-6-2-1-4-15(16)13-21-8-10-22(11-9-21)17-14(12-19)5-3-7-20-17/h1-7H,8-11,13H2.
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 31618852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).