N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine

C22H26Cl2N2O — CID 90889755

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine
SMILESClc1cccc(Cl)c1CONC=C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O/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/h1-4,6-7,9-10,16,25H,5,8,11-15,17H2
InChIKeyWUQPKUNBKJYFHL-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.63
Rot. Bonds8

About N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine

N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine (PubChem CID 90889755) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine
PubChem CID90889755
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine
SMILESClc1cccc(Cl)c1CONC=C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O/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/h1-4,6-7,9-10,16,25H,5,8,11-15,17H2
InChIKeyWUQPKUNBKJYFHL-UHFFFAOYSA-N
XLogP5.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride
CID 24774610
1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichlorobenzyl)oxime
CID 24773636
4-[(2,6-Dichlorobenzyloxyimino)methyl]-1-(3-phenylpropyl)piperidinium hydrochloride
CID 24774611
1-[[4-(2-Chlorophenyl)phenyl]methoxy]piperidine
CID 54295514
4-(2-Chlorophenyl)-1-phenylmethoxypiperidine
CID 57070666
1-[Bis(2-chlorophenyl)methoxy]piperidine
CID 69558534
1-[Chloro-(2-chlorophenyl)-phenylmethoxy]piperidine
CID 69558537
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine
CID 87616792
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine
CID 90784367
N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine;hydrochloride
CID 173121212
N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine
CID 161711827

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine (CID 90889755) is N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine is Clc1cccc(Cl)c1CONC=C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine?
The InChIKey is WUQPKUNBKJYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/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/h1-4,6-7,9-10,16,25H,5,8,11-15,17H2.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine?
N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine has a molecular weight of 405.37 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine is sourced from PubChem (CID 90889755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).