2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine

C17H21N3O — CID 133469302

IUPAC2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine
SMILESCOc1cccc(C2CCN(c3cncc(C)n3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-13-11-18-12-17(19-13)20-8-6-14(7-9-20)15-4-3-5-16(10-15)21-2/h3-5,10-12,14H,6-9H2,1-2H3
InChIKeyKOMXWMPPLSYTHK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.18
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine

2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine (PubChem CID 133469302) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine
PubChem CID133469302
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine
SMILESCOc1cccc(C2CCN(c3cncc(C)n3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-13-11-18-12-17(19-13)20-8-6-14(7-9-20)15-4-3-5-16(10-15)21-2/h3-5,10-12,14H,6-9H2,1-2H3
InChIKeyKOMXWMPPLSYTHK-UHFFFAOYSA-N
XLogP3.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
CID 133279366
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279385
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
CID 133405273
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122136129
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine
CID 154807846
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine (CID 133469302) is 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine is COc1cccc(C2CCN(c3cncc(C)n3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine?
The InChIKey is KOMXWMPPLSYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-11-18-12-17(19-13)20-8-6-14(7-9-20)15-4-3-5-16(10-15)21-2/h3-5,10-12,14H,6-9H2,1-2H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine?
2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine has a molecular weight of 283.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 133469302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).