ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol

C22H25N3O3 — CID 90725026

IUPACethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
SMILESCC.O=Nc1c(O)cc(N2CCN(c3ccc(O)cc3)CC2)c2ccccc12
InChIInChI=1S/C20H19N3O3.C2H6/c24-15-7-5-14(6-8-15)22-9-11-23(12-10-22)18-13-19(25)20(21-26)17-4-2-1-3-16(17)18;1-2/h1-8,13,24-25H,9-12H2;1-2H3
InChIKeyRHTAMMOYAWCVDJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.00
Rot. Bonds3

About ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol

ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol (PubChem CID 90725026) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol.

Molecular Properties

Compound Nameethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
PubChem CID90725026
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Nameethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
SMILESCC.O=Nc1c(O)cc(N2CCN(c3ccc(O)cc3)CC2)c2ccccc12
InChIInChI=1S/C20H19N3O3.C2H6/c24-15-7-5-14(6-8-15)22-9-11-23(12-10-22)18-13-19(25)20(21-26)17-4-2-1-3-16(17)18;1-2/h1-8,13,24-25H,9-12H2;1-2H3
InChIKeyRHTAMMOYAWCVDJ-UHFFFAOYSA-N
XLogP5.00
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol?
The IUPAC name of ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol (CID 90725026) is ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol.
What is the SMILES notation for ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol?
The canonical SMILES for ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol is CC.O=Nc1c(O)cc(N2CCN(c3ccc(O)cc3)CC2)c2ccccc12.
What is the InChIKey of ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol?
The InChIKey is RHTAMMOYAWCVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.C2H6/c24-15-7-5-14(6-8-15)22-9-11-23(12-10-22)18-13-19(25)20(21-26)17-4-2-1-3-16(17)18;1-2/h1-8,13,24-25H,9-12H2;1-2H3.
What are the key properties of ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol?
ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol has a molecular weight of 379.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol is sourced from PubChem (CID 90725026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).