N-[(4-chlorophenyl)methoxy]piperidin-4-imine

C12H15ClN2O — CID 21259128

IUPACN-[(4-chlorophenyl)methoxy]piperidin-4-imine
SMILESClc1ccc(CON=C2CCNCC2)cc1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-16-15-12-5-7-14-8-6-12/h1-4,14H,5-9H2
InChIKeySWHHUHLOPKNZJL-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.60
Rot. Bonds3

About N-[(4-chlorophenyl)methoxy]piperidin-4-imine

N-[(4-chlorophenyl)methoxy]piperidin-4-imine (PubChem CID 21259128) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]piperidin-4-imine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]piperidin-4-imine
PubChem CID21259128
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(4-chlorophenyl)methoxy]piperidin-4-imine
SMILESClc1ccc(CON=C2CCNCC2)cc1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-16-15-12-5-7-14-8-6-12/h1-4,14H,5-9H2
InChIKeySWHHUHLOPKNZJL-UHFFFAOYSA-N
XLogP2.60
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]piperidin-4-imine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]piperidin-4-imine (CID 21259128) is N-[(4-chlorophenyl)methoxy]piperidin-4-imine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]piperidin-4-imine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]piperidin-4-imine is Clc1ccc(CON=C2CCNCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]piperidin-4-imine?
The InChIKey is SWHHUHLOPKNZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-16-15-12-5-7-14-8-6-12/h1-4,14H,5-9H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]piperidin-4-imine?
N-[(4-chlorophenyl)methoxy]piperidin-4-imine has a molecular weight of 238.72 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]piperidin-4-imine is sourced from PubChem (CID 21259128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).