1-nitroso-4-propylpiperazine

C7H15N3O — CID 23461664

IUPAC1-nitroso-4-propylpiperazine
SMILESCCCN1CCN(N=O)CC1
InChIInChI=1S/C7H15N3O/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H2,1H3
InChIKeyBRIWKYADNVJFQN-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.70
Rot. Bonds3

About 1-nitroso-4-propylpiperazine

1-nitroso-4-propylpiperazine (PubChem CID 23461664) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-nitroso-4-propylpiperazine.

Molecular Properties

Compound Name1-nitroso-4-propylpiperazine
PubChem CID23461664
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-nitroso-4-propylpiperazine
SMILESCCCN1CCN(N=O)CC1
InChIInChI=1S/C7H15N3O/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H2,1H3
InChIKeyBRIWKYADNVJFQN-UHFFFAOYSA-N
XLogP0.70
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-propylpiperazine?
The IUPAC name of 1-nitroso-4-propylpiperazine (CID 23461664) is 1-nitroso-4-propylpiperazine.
What is the SMILES notation for 1-nitroso-4-propylpiperazine?
The canonical SMILES for 1-nitroso-4-propylpiperazine is CCCN1CCN(N=O)CC1.
What is the InChIKey of 1-nitroso-4-propylpiperazine?
The InChIKey is BRIWKYADNVJFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H2,1H3.
What are the key properties of 1-nitroso-4-propylpiperazine?
1-nitroso-4-propylpiperazine has a molecular weight of 157.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-propylpiperazine is sourced from PubChem (CID 23461664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).