4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol

C27H27N3O2 — CID 137007119

IUPAC4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C27H27N3O2/c31-22-12-8-20(9-13-22)26-27(29-25-7-3-2-6-24(25)28-26)21-10-14-23(15-11-21)32-19-18-30-16-4-1-5-17-30/h2-3,6-15,31H,1,4-5,16-19H2
InChIKeyBOWRXIFGBGVJEP-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.53
Rot. Bonds6

About 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol

4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol (PubChem CID 137007119) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol
PubChem CID137007119
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol
SMILESOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C27H27N3O2/c31-22-12-8-20(9-13-22)26-27(29-25-7-3-2-6-24(25)28-26)21-10-14-23(15-11-21)32-19-18-30-16-4-1-5-17-30/h2-3,6-15,31H,1,4-5,16-19H2
InChIKeyBOWRXIFGBGVJEP-UHFFFAOYSA-N
XLogP5.53
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
CL-246738 free base
CID 133712
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
2,3-Bis(p-methoxystyryl)quinoxaline
CID 5473489
5-[2-(4-Benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
CID 24865538
2-(4-Butoxyphenyl)quinoxaline
CID 1739003
4-(3-Phenylquinoxalin-2-yl)phenol
CID 830753
4,4'-(2,3-Quinoxalinediyl)bis(2-methoxyphenol)
CID 1361650
2-Amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol
CID 10150658
5-[2-[4-[(3-Methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
CID 10172853

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol?
The IUPAC name of 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol (CID 137007119) is 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol.
What is the SMILES notation for 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol?
The canonical SMILES for 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol is Oc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol?
The InChIKey is BOWRXIFGBGVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-22-12-8-20(9-13-22)26-27(29-25-7-3-2-6-24(25)28-26)21-10-14-23(15-11-21)32-19-18-30-16-4-1-5-17-30/h2-3,6-15,31H,1,4-5,16-19H2.
What are the key properties of 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol?
4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol has a molecular weight of 425.53 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinoxalin-2-yl]phenol is sourced from PubChem (CID 137007119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).