2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine

C16H18FN3 — CID 95818599

IUPAC2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
SMILESCN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3/c1-20-10-2-3-13(11-20)16-15(18-8-9-19-16)12-4-6-14(17)7-5-12/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyIQZMCBJYRVGMQV-CYBMUJFWSA-N
MW271.34 g/mol
LogP3.09
Rot. Bonds2

About 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine

2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine (PubChem CID 95818599) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
PubChem CID95818599
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
SMILESCN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3/c1-20-10-2-3-13(11-20)16-15(18-8-9-19-16)12-4-6-14(17)7-5-12/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1
InChIKeyIQZMCBJYRVGMQV-CYBMUJFWSA-N
XLogP3.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
2-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 110255043
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818693
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95819254
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245
1-[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819071
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819220
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110255005
[(3R)-3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95819446

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine (CID 95818599) is 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine is CN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The InChIKey is IQZMCBJYRVGMQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3/c1-20-10-2-3-13(11-20)16-15(18-8-9-19-16)12-4-6-14(17)7-5-12/h4-9,13H,2-3,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine has a molecular weight of 271.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95818599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).