4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol

C20H21N5O — CID 135482228

IUPAC4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol
SMILESOc1ccc(-c2cncc(N3CCN(Cc4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H21N5O/c26-18-6-4-16(5-7-18)19-13-21-14-20(23-19)25-11-9-24(10-12-25)15-17-3-1-2-8-22-17/h1-8,13-14,26H,9-12,15H2
InChIKeyGGLWTQLFEBZDBR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.57
Rot. Bonds4

About 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol

4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol (PubChem CID 135482228) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol
PubChem CID135482228
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol
SMILESOc1ccc(-c2cncc(N3CCN(Cc4ccccn4)CC3)n2)cc1
InChIInChI=1S/C20H21N5O/c26-18-6-4-16(5-7-18)19-13-21-14-20(23-19)25-11-9-24(10-12-25)15-17-3-1-2-8-22-17/h1-8,13-14,26H,9-12,15H2
InChIKeyGGLWTQLFEBZDBR-UHFFFAOYSA-N
XLogP2.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22328845
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519428
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-pyridinyl]methanol
CID 131914452
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
4-[(4-hydroxyphenyl)-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3-pyridinyl]methyl]phenol
CID 54224087

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol?
The IUPAC name of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol (CID 135482228) is 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol?
The canonical SMILES for 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol is Oc1ccc(-c2cncc(N3CCN(Cc4ccccn4)CC3)n2)cc1.
What is the InChIKey of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol?
The InChIKey is GGLWTQLFEBZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-18-6-4-16(5-7-18)19-13-21-14-20(23-19)25-11-9-24(10-12-25)15-17-3-1-2-8-22-17/h1-8,13-14,26H,9-12,15H2.
What are the key properties of 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol?
4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol has a molecular weight of 347.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]phenol is sourced from PubChem (CID 135482228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).