1-phenylmethoxypiperidin-2-imine

C12H16N2O — CID 67147800

IUPAC1-phenylmethoxypiperidin-2-imine
SMILES[H]/N=C1\CCCCN1OCc1ccccc1
InChIInChI=1S/C12H16N2O/c13-12-8-4-5-9-14(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2/b13-12+
InChIKeySFUBIMJSSUAQTJ-OUKQBFOZSA-N
MW204.27 g/mol
LogP2.58
Rot. Bonds3

About 1-phenylmethoxypiperidin-2-imine

1-phenylmethoxypiperidin-2-imine (PubChem CID 67147800) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-phenylmethoxypiperidin-2-imine.

Molecular Properties

Compound Name1-phenylmethoxypiperidin-2-imine
PubChem CID67147800
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-phenylmethoxypiperidin-2-imine
SMILES[H]/N=C1\CCCCN1OCc1ccccc1
InChIInChI=1S/C12H16N2O/c13-12-8-4-5-9-14(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2/b13-12+
InChIKeySFUBIMJSSUAQTJ-OUKQBFOZSA-N
XLogP2.58
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypiperidin-2-imine?
The IUPAC name of 1-phenylmethoxypiperidin-2-imine (CID 67147800) is 1-phenylmethoxypiperidin-2-imine.
What is the SMILES notation for 1-phenylmethoxypiperidin-2-imine?
The canonical SMILES for 1-phenylmethoxypiperidin-2-imine is [H]/N=C1\CCCCN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypiperidin-2-imine?
The InChIKey is SFUBIMJSSUAQTJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12-8-4-5-9-14(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2/b13-12+.
What are the key properties of 1-phenylmethoxypiperidin-2-imine?
1-phenylmethoxypiperidin-2-imine has a molecular weight of 204.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypiperidin-2-imine is sourced from PubChem (CID 67147800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).