2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine

C18H23N3O2 — CID 75378157

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine
SMILESCOCC1CCCN(c2cncc(OCc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3O2/c1-22-13-16-8-5-9-21(12-16)17-10-19-11-18(20-17)23-14-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-14H2,1H3
InChIKeySNNBUFDTHDTKHS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.92
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine

2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine (PubChem CID 75378157) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine
PubChem CID75378157
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine
SMILESCOCC1CCCN(c2cncc(OCc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3O2/c1-22-13-16-8-5-9-21(12-16)17-10-19-11-18(20-17)23-14-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-14H2,1H3
InChIKeySNNBUFDTHDTKHS-UHFFFAOYSA-N
XLogP2.92
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 97047985
N-methyl-1-(6-phenylmethoxypyrazin-2-yl)piperidine-3-carboxamide
CID 154750088
2-[3-(methoxymethyl)piperidin-1-yl]-6-propan-2-yloxypyrazine
CID 86797731
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608
2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
CID 71857386
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129414410
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]methanol
CID 106588319
4-[3-(ethoxymethyl)piperidin-1-yl]-2-methylpyrimidine
CID 123680686
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpyridine
CID 164927032

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine (CID 75378157) is 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine is COCC1CCCN(c2cncc(OCc3ccccc3)n2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine?
The InChIKey is SNNBUFDTHDTKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-13-16-8-5-9-21(12-16)17-10-19-11-18(20-17)23-14-15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12-14H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine?
2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine has a molecular weight of 313.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-6-phenylmethoxypyrazine is sourced from PubChem (CID 75378157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).