2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine

C16H17F2N3 — CID 95829511

IUPAC2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
SMILESFc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1F
InChIInChI=1S/C16H17F2N3/c17-14-4-3-12(8-15(14)18)10-21-7-1-2-13(11-21)16-9-19-5-6-20-16/h3-6,8-9,13H,1-2,7,10-11H2/t13-/m0/s1
InChIKeyUQJPUJQECLTKLU-ZDUSSCGKSA-N
MW289.33 g/mol
LogP3.13
Rot. Bonds3

About 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine

2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine (PubChem CID 95829511) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
PubChem CID95829511
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
SMILESFc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1F
InChIInChI=1S/C16H17F2N3/c17-14-4-3-12(8-15(14)18)10-21-7-1-2-13(11-21)16-9-19-5-6-20-16/h3-6,8-9,13H,1-2,7,10-11H2/t13-/m0/s1
InChIKeyUQJPUJQECLTKLU-ZDUSSCGKSA-N
XLogP3.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
CID 124965345
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
2-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163356836
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 175378504

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine (CID 95829511) is 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine is Fc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1F.
What is the InChIKey of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is UQJPUJQECLTKLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-4-3-12(8-15(14)18)10-21-7-1-2-13(11-21)16-9-19-5-6-20-16/h3-6,8-9,13H,1-2,7,10-11H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine?
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 289.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 95829511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).