2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine

C17H21N3O — CID 95825462

IUPAC2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine
SMILESCOc1ccccc1Cc1cnc(C2CCNCC2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-5-3-2-4-14(17)10-15-11-20-16(12-19-15)13-6-8-18-9-7-13/h2-5,11-13,18H,6-10H2,1H3
InChIKeyQWMFECLYPXJQFB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine

2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine (PubChem CID 95825462) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine
PubChem CID95825462
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine
SMILESCOc1ccccc1Cc1cnc(C2CCNCC2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-5-3-2-4-14(17)10-15-11-20-16(12-19-15)13-6-8-18-9-7-13/h2-5,11-13,18H,6-10H2,1H3
InChIKeyQWMFECLYPXJQFB-UHFFFAOYSA-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-[(3R)-piperidin-3-yl]pyrazine
CID 95825460
2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride
CID 118741918
5-fluoro-4-methoxy-2-piperidin-4-ylpyridine
CID 84677771
(4R)-4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 125014341
4-[[5-(2-methoxyphenyl)pyrazin-2-yl]methyl]azepane
CID 110090064
4-[5-[(2-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 154911988
4-(2-methoxyphenyl)piperidine
CID 544738
4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 63355445
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 118207230
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine (CID 95825462) is 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine is COc1ccccc1Cc1cnc(C2CCNCC2)cn1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine?
The InChIKey is QWMFECLYPXJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-5-3-2-4-14(17)10-15-11-20-16(12-19-15)13-6-8-18-9-7-13/h2-5,11-13,18H,6-10H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine?
2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine 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-piperidin-4-ylpyrazine is sourced from PubChem (CID 95825462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).