(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride

C22H27Cl3N2O — CID 24774610

IUPAC(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O.ClH/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18;/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2;1H/b25-16+;
InChIKeyXHKIHTPQZDMNDB-SRTPWMEPSA-N
MW441.83 g/mol
LogP6.26
Rot. Bonds8

About (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride

(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride (PubChem CID 24774610) has the molecular formula C22H27Cl3N2O and a molecular weight of 441.83 g/mol. Its IUPAC name is (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride
PubChem CID24774610
Molecular FormulaC22H27Cl3N2O
Molecular Weight441.83 g/mol
Exact Mass440.12
IUPAC Name(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O.ClH/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18;/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2;1H/b25-16+;
InChIKeyXHKIHTPQZDMNDB-SRTPWMEPSA-N
XLogP6.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.83
LogP ≤ 56.26
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 (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride 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

N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863707
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
(E)-N-[(2-chlorophenyl)methoxy]-1-cyclohexylmethanimine
CID 177448995
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride?
The IUPAC name of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride (CID 24774610) is (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride.
What is the SMILES notation for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride?
The canonical SMILES for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride is Cl.Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride?
The InChIKey is XHKIHTPQZDMNDB-SRTPWMEPSA-N. The full InChI is InChI=1S/C22H26Cl2N2O.ClH/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18;/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2;1H/b25-16+;.
What are the key properties of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride?
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride has a molecular weight of 441.83 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride is sourced from PubChem (CID 24774610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).