4-methoxy-1-nitroso-4-phenylpiperidine

C12H16N2O2 — CID 119087555

IUPAC4-methoxy-1-nitroso-4-phenylpiperidine
SMILESCOC1(c2ccccc2)CCN(N=O)CC1
InChIInChI=1S/C12H16N2O2/c1-16-12(11-5-3-2-4-6-11)7-9-14(13-15)10-8-12/h2-6H,7-10H2,1H3
InChIKeyLRTWSVPTDZIIQY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.31
Rot. Bonds3

About 4-methoxy-1-nitroso-4-phenylpiperidine

4-methoxy-1-nitroso-4-phenylpiperidine (PubChem CID 119087555) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methoxy-1-nitroso-4-phenylpiperidine.

Molecular Properties

Compound Name4-methoxy-1-nitroso-4-phenylpiperidine
PubChem CID119087555
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methoxy-1-nitroso-4-phenylpiperidine
SMILESCOC1(c2ccccc2)CCN(N=O)CC1
InChIInChI=1S/C12H16N2O2/c1-16-12(11-5-3-2-4-6-11)7-9-14(13-15)10-8-12/h2-6H,7-10H2,1H3
InChIKeyLRTWSVPTDZIIQY-UHFFFAOYSA-N
XLogP2.31
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.31
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 4-methoxy-1-nitroso-4-phenylpiperidine?
The IUPAC name of 4-methoxy-1-nitroso-4-phenylpiperidine (CID 119087555) is 4-methoxy-1-nitroso-4-phenylpiperidine.
What is the SMILES notation for 4-methoxy-1-nitroso-4-phenylpiperidine?
The canonical SMILES for 4-methoxy-1-nitroso-4-phenylpiperidine is COC1(c2ccccc2)CCN(N=O)CC1.
What is the InChIKey of 4-methoxy-1-nitroso-4-phenylpiperidine?
The InChIKey is LRTWSVPTDZIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(11-5-3-2-4-6-11)7-9-14(13-15)10-8-12/h2-6H,7-10H2,1H3.
What are the key properties of 4-methoxy-1-nitroso-4-phenylpiperidine?
4-methoxy-1-nitroso-4-phenylpiperidine has a molecular weight of 220.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-nitroso-4-phenylpiperidine is sourced from PubChem (CID 119087555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).