2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine

C22H22FN3 — CID 95818585

IUPAC2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
SMILESFc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H22FN3/c23-20-11-5-4-10-19(20)22-21(24-12-13-25-22)18-9-6-14-26(16-18)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2/t18-/m1/s1
InChIKeyQIOSPXZHLBMQEN-GOSISDBHSA-N
MW347.44 g/mol
LogP4.66
Rot. Bonds4

About 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine

2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine (PubChem CID 95818585) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
PubChem CID95818585
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC Name2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
SMILESFc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H22FN3/c23-20-11-5-4-10-19(20)22-21(24-12-13-25-22)18-9-6-14-26(16-18)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2/t18-/m1/s1
InChIKeyQIOSPXZHLBMQEN-GOSISDBHSA-N
XLogP4.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrazine
CID 110254812
2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
CID 110255013
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818958
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
2-(dimethylamino)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819329
3-(4-fluorophenyl)-1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95819416
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
2-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95818834
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine?
The IUPAC name of 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine (CID 95818585) is 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine.
What is the SMILES notation for 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine?
The canonical SMILES for 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine is Fc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine?
The InChIKey is QIOSPXZHLBMQEN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22FN3/c23-20-11-5-4-10-19(20)22-21(24-12-13-25-22)18-9-6-14-26(16-18)15-17-7-2-1-3-8-17/h1-5,7-8,10-13,18H,6,9,14-16H2/t18-/m1/s1.
What are the key properties of 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine?
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine has a molecular weight of 347.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine is sourced from PubChem (CID 95818585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).