6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine

C19H20N4 — CID 46196307

IUPAC6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine
SMILESc1cc(CN2CCCCC2)cc(-c2ccc3nccnc3n2)c1
InChIInChI=1S/C19H20N4/c1-2-11-23(12-3-1)14-15-5-4-6-16(13-15)17-7-8-18-19(22-17)21-10-9-20-18/h4-10,13H,1-3,11-12,14H2
InChIKeyPFKBSICTHQCUFK-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.68
Rot. Bonds3

About 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine

6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine (PubChem CID 46196307) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine
PubChem CID46196307
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine
SMILESc1cc(CN2CCCCC2)cc(-c2ccc3nccnc3n2)c1
InChIInChI=1S/C19H20N4/c1-2-11-23(12-3-1)14-15-5-4-6-16(13-15)17-7-8-18-19(22-17)21-10-9-20-18/h4-10,13H,1-3,11-12,14H2
InChIKeyPFKBSICTHQCUFK-UHFFFAOYSA-N
XLogP3.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]acetic acid
CID 155919687
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459650
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-(piperidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 67388861
1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1,4-diazepane
CID 59037165
2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
CID 175938515
4-chloro-6-(piperidin-1-ylmethyl)quinoline
CID 138974871
6-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 171999212
1-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-1,4-diazepane
CID 58199912
4-[[3-(2-methylsulfanylpyrimidin-4-yl)phenyl]methyl]piperazine-1-sulfonamide
CID 165421041
[3-(piperidin-1-ylmethyl)phenyl]methanethiol
CID 57304905

Frequently Asked Questions

What is the IUPAC name of 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine?
The IUPAC name of 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine (CID 46196307) is 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine is c1cc(CN2CCCCC2)cc(-c2ccc3nccnc3n2)c1.
What is the InChIKey of 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine?
The InChIKey is PFKBSICTHQCUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-11-23(12-3-1)14-15-5-4-6-16(13-15)17-7-8-18-19(22-17)21-10-9-20-18/h4-10,13H,1-3,11-12,14H2.
What are the key properties of 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine?
6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine has a molecular weight of 304.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 46196307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).