1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride

C30H32Cl4N2O — CID 17159061

IUPAC1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C30H30Cl2N2O.2ClH/c31-25-12-10-24(29(32)18-25)21-35-30-13-11-23-8-4-5-9-27(23)28(30)19-33-26-14-16-34(17-15-26)20-22-6-2-1-3-7-22;;/h1-13,18,26,33H,14-17,19-21H2;2*1H
InChIKeyUQEAZTBWKYFMIY-UHFFFAOYSA-N
MW578.41 g/mol
LogP8.32
Rot. Bonds8

About 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride

1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride (PubChem CID 17159061) has the molecular formula C30H32Cl4N2O and a molecular weight of 578.41 g/mol. Its IUPAC name is 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride
PubChem CID17159061
Molecular FormulaC30H32Cl4N2O
Molecular Weight578.41 g/mol
Exact Mass576.13
IUPAC Name1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C30H30Cl2N2O.2ClH/c31-25-12-10-24(29(32)18-25)21-35-30-13-11-23-8-4-5-9-27(23)28(30)19-33-26-14-16-34(17-15-26)20-22-6-2-1-3-7-22;;/h1-13,18,26,33H,14-17,19-21H2;2*1H
InChIKeyUQEAZTBWKYFMIY-UHFFFAOYSA-N
XLogP8.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.41
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride with MolForge

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822
1-benzyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]piperidin-4-amine;dihydrochloride
CID 17159055
1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159053
1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159045
1-benzyl-N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]piperidin-4-amine
CID 17159125
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]cyclohexanamine;hydrochloride
CID 17296016
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
1-benzyl-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159436
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride (CID 17159061) is 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride is Cl.Cl.Clc1ccc(COc2ccc3ccccc3c2CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is UQEAZTBWKYFMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N2O.2ClH/c31-25-12-10-24(29(32)18-25)21-35-30-13-11-23-8-4-5-9-27(23)28(30)19-33-26-14-16-34(17-15-26)20-22-6-2-1-3-7-22;;/h1-13,18,26,33H,14-17,19-21H2;2*1H.
What are the key properties of 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride?
1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 578.41 g/mol, XLogP of 8.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 17159061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).