4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine

C14H19N3O2 — CID 54326550

IUPAC4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESO=NN1c2ccccc2OCC1CN1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-15-17-12(10-16-8-4-1-5-9-16)11-19-14-7-3-2-6-13(14)17/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeySVIWEQUGQMYOIC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.42
Rot. Bonds3

About 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine

4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 54326550) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID54326550
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine
SMILESO=NN1c2ccccc2OCC1CN1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-15-17-12(10-16-8-4-1-5-9-16)11-19-14-7-3-2-6-13(14)17/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeySVIWEQUGQMYOIC-UHFFFAOYSA-N
XLogP2.42
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine (CID 54326550) is 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine is O=NN1c2ccccc2OCC1CN1CCCCC1.
What is the InChIKey of 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is SVIWEQUGQMYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-15-17-12(10-16-8-4-1-5-9-16)11-19-14-7-3-2-6-13(14)17/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine?
4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 261.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 54326550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).