2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine

C17H22N4O — CID 165434594

IUPAC2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
SMILESCc1nccnc1OCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H22N4O/c1-14-17(20-9-8-19-14)22-13-16-4-10-21(11-5-16)12-15-2-6-18-7-3-15/h2-3,6-9,16H,4-5,10-13H2,1H3
InChIKeyALCUHECMZHPHII-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine

2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine (PubChem CID 165434594) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
PubChem CID165434594
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
SMILESCc1nccnc1OCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H22N4O/c1-14-17(20-9-8-19-14)22-13-16-4-10-21(11-5-16)12-15-2-6-18-7-3-15/h2-3,6-9,16H,4-5,10-13H2,1H3
InChIKeyALCUHECMZHPHII-UHFFFAOYSA-N
XLogP2.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434595
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
4-[[4-[(4-propan-2-ylphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 59734548
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-methoxy-5-[[4-(pyridin-4-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 110102779
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 95150991
4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 165435681
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine (CID 165434594) is 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine is Cc1nccnc1OCC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
The InChIKey is ALCUHECMZHPHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-17(20-9-8-19-14)22-13-16-4-10-21(11-5-16)12-15-2-6-18-7-3-15/h2-3,6-9,16H,4-5,10-13H2,1H3.
What are the key properties of 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine has a molecular weight of 298.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 165434594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).