N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine

C26H27ClN2O — CID 73065438

IUPACN-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2Cl)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C26H27ClN2O/c1-19-24(28-30-18-22-15-9-10-16-23(22)27)17-25(20-11-5-3-6-12-20)29(2)26(19)21-13-7-4-8-14-21/h3-16,19,25-26H,17-18H2,1-2H3
InChIKeyIHYVQJRAGJCQFG-UHFFFAOYSA-N
MW418.97 g/mol
LogP6.67
Rot. Bonds5

About N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine

N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine (PubChem CID 73065438) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
PubChem CID73065438
Molecular FormulaC26H27ClN2O
Molecular Weight418.97 g/mol
Exact Mass418.18
IUPAC NameN-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
SMILESCC1C(=NOCc2ccccc2Cl)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C26H27ClN2O/c1-19-24(28-30-18-22-15-9-10-16-23(22)27)17-25(20-11-5-3-6-12-20)29(2)26(19)21-13-7-4-8-14-21/h3-16,19,25-26H,17-18H2,1-2H3
InChIKeyIHYVQJRAGJCQFG-UHFFFAOYSA-N
XLogP6.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.67
H-Bond Donors ≤ 50
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'}

Analyze N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine with MolForge

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

Launch Full Analysis

Related Compounds

(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride
CID 24774610
N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine
CID 338334
N-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 46881620
N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
CID 46881705
1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichlorobenzyl)oxime
CID 24773636
4-[(2,6-Dichlorobenzyloxyimino)methyl]-1-(3-phenylpropyl)piperidinium hydrochloride
CID 24774611
2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxypiperidin-4-imine
CID 44219760
(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine
CID 45266939
2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine
CID 45267034
(E)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxypiperidin-4-imine
CID 45269525
(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine
CID 45269553
3,5-dimethyl-2,6-diphenyl-N-phenylmethoxypiperidin-4-imine
CID 45270375

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine (CID 73065438) is N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine is CC1C(=NOCc2ccccc2Cl)CC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
The InChIKey is IHYVQJRAGJCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-19-24(28-30-18-22-15-9-10-16-23(22)27)17-25(20-11-5-3-6-12-20)29(2)26(19)21-13-7-4-8-14-21/h3-16,19,25-26H,17-18H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine?
N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine has a molecular weight of 418.97 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine is sourced from PubChem (CID 73065438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).