2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine

C19H25N3O2 — CID 146124952

IUPAC2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine
SMILESCOc1ccccc1COC1CCN(Cc2cnc(C)cn2)CC1
InChIInChI=1S/C19H25N3O2/c1-15-11-21-17(12-20-15)13-22-9-7-18(8-10-22)24-14-16-5-3-4-6-19(16)23-2/h3-6,11-12,18H,7-10,13-14H2,1-2H3
InChIKeyONMBRRGIDBOYQC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.97
Rot. Bonds6

About 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine

2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine (PubChem CID 146124952) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine
PubChem CID146124952
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine
SMILESCOc1ccccc1COC1CCN(Cc2cnc(C)cn2)CC1
InChIInChI=1S/C19H25N3O2/c1-15-11-21-17(12-20-15)13-22-9-7-18(8-10-22)24-14-16-5-3-4-6-19(16)23-2/h3-6,11-12,18H,7-10,13-14H2,1-2H3
InChIKeyONMBRRGIDBOYQC-UHFFFAOYSA-N
XLogP2.97
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120851446
4-chloro-5-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-2-methylpyridazin-3-one
CID 138038465
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
N-[(2-methoxyphenyl)methyl]-2-(5-methylpyrazin-2-yl)ethanimine
CID 90457634
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 124621758
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 120873928
8-[(2-methoxyphenyl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72870165

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine (CID 146124952) is 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine is COc1ccccc1COC1CCN(Cc2cnc(C)cn2)CC1.
What is the InChIKey of 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine?
The InChIKey is ONMBRRGIDBOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-11-21-17(12-20-15)13-22-9-7-18(8-10-22)24-14-16-5-3-4-6-19(16)23-2/h3-6,11-12,18H,7-10,13-14H2,1-2H3.
What are the key properties of 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine?
2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine has a molecular weight of 327.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 146124952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).