1-phenylmethoxypiperidin-2-imine;hydrochloride

C12H17ClN2O — CID 67147799

IUPAC1-phenylmethoxypiperidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCCN1OCc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/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;1H/b13-12+;
InChIKeyDRKMDRWHVNAXBW-UEIGIMKUSA-N
MW240.73 g/mol
LogP3.00
Rot. Bonds3

About 1-phenylmethoxypiperidin-2-imine;hydrochloride

1-phenylmethoxypiperidin-2-imine;hydrochloride (PubChem CID 67147799) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-phenylmethoxypiperidin-2-imine;hydrochloride.

Molecular Properties

Compound Name1-phenylmethoxypiperidin-2-imine;hydrochloride
PubChem CID67147799
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-phenylmethoxypiperidin-2-imine;hydrochloride
SMILESCl.[H]/N=C1\CCCCN1OCc1ccccc1
InChIInChI=1S/C12H16N2O.ClH/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;1H/b13-12+;
InChIKeyDRKMDRWHVNAXBW-UEIGIMKUSA-N
XLogP3.00
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.00
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;hydrochloride?
The IUPAC name of 1-phenylmethoxypiperidin-2-imine;hydrochloride (CID 67147799) is 1-phenylmethoxypiperidin-2-imine;hydrochloride.
What is the SMILES notation for 1-phenylmethoxypiperidin-2-imine;hydrochloride?
The canonical SMILES for 1-phenylmethoxypiperidin-2-imine;hydrochloride is Cl.[H]/N=C1\CCCCN1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypiperidin-2-imine;hydrochloride?
The InChIKey is DRKMDRWHVNAXBW-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/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;1H/b13-12+;.
What are the key properties of 1-phenylmethoxypiperidin-2-imine;hydrochloride?
1-phenylmethoxypiperidin-2-imine;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 3.00, 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;hydrochloride is sourced from PubChem (CID 67147799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).