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

C22H21F2N3 — CID 95818618

IUPAC2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
SMILESFc1ccc(CN2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H21F2N3/c23-19-7-3-16(4-8-19)14-27-13-1-2-18(15-27)22-21(25-11-12-26-22)17-5-9-20(24)10-6-17/h3-12,18H,1-2,13-15H2/t18-/m0/s1
InChIKeyNGJRYTCOOBBJKT-SFHVURJKSA-N
MW365.43 g/mol
LogP4.80
Rot. Bonds4

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

2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine (PubChem CID 95818618) has the molecular formula C22H21F2N3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
PubChem CID95818618
Molecular FormulaC22H21F2N3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
SMILESFc1ccc(CN2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H21F2N3/c23-19-7-3-16(4-8-19)14-27-13-1-2-18(15-27)22-21(25-11-12-26-22)17-5-9-20(24)10-6-17/h3-12,18H,1-2,13-15H2/t18-/m0/s1
InChIKeyNGJRYTCOOBBJKT-SFHVURJKSA-N
XLogP4.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
CID 95818599
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
CID 95810845
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
CID 110110617
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine (CID 95818618) is 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine is Fc1ccc(CN2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is NGJRYTCOOBBJKT-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21F2N3/c23-19-7-3-16(4-8-19)14-27-13-1-2-18(15-27)22-21(25-11-12-26-22)17-5-9-20(24)10-6-17/h3-12,18H,1-2,13-15H2/t18-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine?
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 365.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 95818618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).