2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine

C16H19N3O — CID 95816648

IUPAC2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
SMILESCOc1ccccc1-c1nccnc1[C@H]1CCCNC1
InChIInChI=1S/C16H19N3O/c1-20-14-7-3-2-6-13(14)16-15(18-9-10-19-16)12-5-4-8-17-11-12/h2-3,6-7,9-10,12,17H,4-5,8,11H2,1H3/t12-/m0/s1
InChIKeyPXRHMQVLLOFYKP-LBPRGKRZSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine

2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine (PubChem CID 95816648) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
PubChem CID95816648
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
SMILESCOc1ccccc1-c1nccnc1[C@H]1CCCNC1
InChIInChI=1S/C16H19N3O/c1-20-14-7-3-2-6-13(14)16-15(18-9-10-19-16)12-5-4-8-17-11-12/h2-3,6-7,9-10,12,17H,4-5,8,11H2,1H3/t12-/m0/s1
InChIKeyPXRHMQVLLOFYKP-LBPRGKRZSA-N
XLogP2.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 84610625
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
CID 95819239
2-(1-methylpyrazol-4-yl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 124641432
2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
CID 95825460
1-piperidin-3-ylisoquinoline
CID 84782419
2-chloro-4-methoxy-3-piperidin-3-ylpyridine
CID 84690868
2-(azetidin-3-yl)-3-methoxypyridine
CID 130160263
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191
2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine
CID 110255183

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine (CID 95816648) is 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine is COc1ccccc1-c1nccnc1[C@H]1CCCNC1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine?
The InChIKey is PXRHMQVLLOFYKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-14-7-3-2-6-13(14)16-15(18-9-10-19-16)12-5-4-8-17-11-12/h2-3,6-7,9-10,12,17H,4-5,8,11H2,1H3/t12-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine?
2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine has a molecular weight of 269.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine is sourced from PubChem (CID 95816648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).