1-ethyl-4-(2-nitrosophenyl)piperazine

C12H17N3O — CID 87540544

IUPAC1-ethyl-4-(2-nitrosophenyl)piperazine
SMILESCCN1CCN(c2ccccc2N=O)CC1
InChIInChI=1S/C12H17N3O/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13-16/h3-6H,2,7-10H2,1H3
InChIKeyZTOKVVODUIEBHZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.23
Rot. Bonds3

About 1-ethyl-4-(2-nitrosophenyl)piperazine

1-ethyl-4-(2-nitrosophenyl)piperazine (PubChem CID 87540544) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-ethyl-4-(2-nitrosophenyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(2-nitrosophenyl)piperazine
PubChem CID87540544
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-ethyl-4-(2-nitrosophenyl)piperazine
SMILESCCN1CCN(c2ccccc2N=O)CC1
InChIInChI=1S/C12H17N3O/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13-16/h3-6H,2,7-10H2,1H3
InChIKeyZTOKVVODUIEBHZ-UHFFFAOYSA-N
XLogP2.23
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-nitrosophenyl)piperazine?
The IUPAC name of 1-ethyl-4-(2-nitrosophenyl)piperazine (CID 87540544) is 1-ethyl-4-(2-nitrosophenyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(2-nitrosophenyl)piperazine?
The canonical SMILES for 1-ethyl-4-(2-nitrosophenyl)piperazine is CCN1CCN(c2ccccc2N=O)CC1.
What is the InChIKey of 1-ethyl-4-(2-nitrosophenyl)piperazine?
The InChIKey is ZTOKVVODUIEBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13-16/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-(2-nitrosophenyl)piperazine?
1-ethyl-4-(2-nitrosophenyl)piperazine has a molecular weight of 219.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-nitrosophenyl)piperazine is sourced from PubChem (CID 87540544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).