2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline

C15H17FN4 — CID 62733433

IUPAC2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(c2ncccc2F)CC1
InChIInChI=1S/C15H17FN4/c16-12-4-3-7-18-15(12)20-10-8-19(9-11-20)14-6-2-1-5-13(14)17/h1-7H,8-11,17H2
InChIKeyJDKVTXZKRAAQNM-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.13
Rot. Bonds2

About 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline

2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline (PubChem CID 62733433) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline
PubChem CID62733433
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline
SMILESNc1ccccc1N1CCN(c2ncccc2F)CC1
InChIInChI=1S/C15H17FN4/c16-12-4-3-7-18-15(12)20-10-8-19(9-11-20)14-6-2-1-5-13(14)17/h1-7H,8-11,17H2
InChIKeyJDKVTXZKRAAQNM-UHFFFAOYSA-N
XLogP2.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
3-[4-(2-aminophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 62672376
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 62734933
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]aniline
CID 60876827
1-(3-fluoro-2-pyridinyl)-1,4-azaphosphinan-4-ium 4-oxide
CID 175693881
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-[4-(2-bromophenyl)piperazin-1-yl]aniline
CID 117013639
3-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 62734905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline?
The IUPAC name of 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline (CID 62733433) is 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline is Nc1ccccc1N1CCN(c2ncccc2F)CC1.
What is the InChIKey of 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline?
The InChIKey is JDKVTXZKRAAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-12-4-3-7-18-15(12)20-10-8-19(9-11-20)14-6-2-1-5-13(14)17/h1-7H,8-11,17H2.
What are the key properties of 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline?
2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline has a molecular weight of 272.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline is sourced from PubChem (CID 62733433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).