1-(4-nitrosocyclohexyl)-4-propylpiperazine

C13H25N3O — CID 89281435

IUPAC1-(4-nitrosocyclohexyl)-4-propylpiperazine
SMILESCCCN1CCN(C2CCC(N=O)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(14-17)4-6-13/h12-13H,2-11H2,1H3
InChIKeyJZYAFXWUCIKXHV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.09
Rot. Bonds4

About 1-(4-nitrosocyclohexyl)-4-propylpiperazine

1-(4-nitrosocyclohexyl)-4-propylpiperazine (PubChem CID 89281435) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-nitrosocyclohexyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(4-nitrosocyclohexyl)-4-propylpiperazine
PubChem CID89281435
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-nitrosocyclohexyl)-4-propylpiperazine
SMILESCCCN1CCN(C2CCC(N=O)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(14-17)4-6-13/h12-13H,2-11H2,1H3
InChIKeyJZYAFXWUCIKXHV-UHFFFAOYSA-N
XLogP2.09
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrosocyclohexyl)-4-propylpiperazine?
The IUPAC name of 1-(4-nitrosocyclohexyl)-4-propylpiperazine (CID 89281435) is 1-(4-nitrosocyclohexyl)-4-propylpiperazine.
What is the SMILES notation for 1-(4-nitrosocyclohexyl)-4-propylpiperazine?
The canonical SMILES for 1-(4-nitrosocyclohexyl)-4-propylpiperazine is CCCN1CCN(C2CCC(N=O)CC2)CC1.
What is the InChIKey of 1-(4-nitrosocyclohexyl)-4-propylpiperazine?
The InChIKey is JZYAFXWUCIKXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(14-17)4-6-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-(4-nitrosocyclohexyl)-4-propylpiperazine?
1-(4-nitrosocyclohexyl)-4-propylpiperazine has a molecular weight of 239.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrosocyclohexyl)-4-propylpiperazine is sourced from PubChem (CID 89281435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).