2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine

C17H21N3O — CID 95825460

IUPAC2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCNC2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-7-3-2-5-13(17)9-15-11-20-16(12-19-15)14-6-4-8-18-10-14/h2-3,5,7,11-12,14,18H,4,6,8-10H2,1H3/t14-/m1/s1
InChIKeyIJZXINBYVYDHJX-CQSZACIVSA-N
MW283.38 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine

2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine (PubChem CID 95825460) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
PubChem CID95825460
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
SMILESCOc1ccccc1Cc1cnc([C@@H]2CCCNC2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-7-3-2-5-13(17)9-15-11-20-16(12-19-15)14-6-4-8-18-10-14/h2-3,5,7,11-12,14,18H,4,6,8-10H2,1H3/t14-/m1/s1
InChIKeyIJZXINBYVYDHJX-CQSZACIVSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine
CID 95825462
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
CID 95816648
N-[(2-methoxyphenyl)methyl]-6-piperidin-3-yl-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 110089611
(4R)-4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 125014341
4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 110090064
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 84610625
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
CID 95846535
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-amine
CID 95207906

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine (CID 95825460) is 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine is COc1ccccc1Cc1cnc([C@@H]2CCCNC2)cn1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine?
The InChIKey is IJZXINBYVYDHJX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-7-3-2-5-13(17)9-15-11-20-16(12-19-15)14-6-4-8-18-10-14/h2-3,5,7,11-12,14,18H,4,6,8-10H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine?
2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine has a molecular weight of 283.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine is sourced from PubChem (CID 95825460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).