2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine

C17H21N3O2 — CID 70780919

IUPAC2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
SMILESCOc1cccc(OCC2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-21-15-5-2-6-16(10-15)22-13-14-4-3-9-20(12-14)17-11-18-7-8-19-17/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3
InChIKeyNPKLFVMFINCMNE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.78
Rot. Bonds5

About 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine

2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine (PubChem CID 70780919) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
PubChem CID70780919
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
SMILESCOc1cccc(OCC2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-21-15-5-2-6-16(10-15)22-13-14-4-3-9-20(12-14)17-11-18-7-8-19-17/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3
InChIKeyNPKLFVMFINCMNE-UHFFFAOYSA-N
XLogP2.78
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
2-[(3R)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840910
2-[(3S)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840909
6-[3-(phenoxymethyl)piperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133308222
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 97143492
6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 163354942
2-ethyl-7-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70722168

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine (CID 70780919) is 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine is COc1cccc(OCC2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine?
The InChIKey is NPKLFVMFINCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-15-5-2-6-16(10-15)22-13-14-4-3-9-20(12-14)17-11-18-7-8-19-17/h2,5-8,10-11,14H,3-4,9,12-13H2,1H3.
What are the key properties of 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine?
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine has a molecular weight of 299.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 70780919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).