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

C17H22N4O — CID 165434595

IUPAC2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
SMILESCc1nccnc1OCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H22N4O/c1-14-17(20-8-7-19-14)22-13-15-4-9-21(10-5-15)12-16-3-2-6-18-11-16/h2-3,6-8,11,15H,4-5,9-10,12-13H2,1H3
InChIKeyLAXBAJDHHCNMOB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.47
Rot. Bonds5

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

2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine (PubChem CID 165434595) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
PubChem CID165434595
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine
SMILESCc1nccnc1OCC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H22N4O/c1-14-17(20-8-7-19-14)22-13-15-4-9-21(10-5-15)12-16-3-2-6-18-11-16/h2-3,6-8,11,15H,4-5,9-10,12-13H2,1H3
InChIKeyLAXBAJDHHCNMOB-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-4-ylmethyl)piperidin-4-yl]methoxy]pyrazine
CID 165434594
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]pyrazine
CID 154580959
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 86921160
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
3-[[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 90494491
2,4,6-trimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
The IUPAC name of 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine (CID 165434595) is 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine.
What is the SMILES notation for 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
The canonical SMILES for 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine is Cc1nccnc1OCC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
The InChIKey is LAXBAJDHHCNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-17(20-8-7-19-14)22-13-15-4-9-21(10-5-15)12-16-3-2-6-18-11-16/h2-3,6-8,11,15H,4-5,9-10,12-13H2,1H3.
What are the key properties of 2-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine?
2-methyl-3-[[1-(pyridin-3-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-3-ylmethyl)piperidin-4-yl]methoxy]pyrazine is sourced from PubChem (CID 165434595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).