N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine

C21H28N2O — CID 3373355

IUPACN-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H28N2O/c1-16-8-9-20(14-17(16)2)22-19-10-12-23(13-11-19)15-18-6-4-5-7-21(18)24-3/h4-9,14,19,22H,10-13,15H2,1-3H3
InChIKeyXMZPWASTNWXGNV-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.39
Rot. Bonds5

About N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine

N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 3373355) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID3373355
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(Nc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C21H28N2O/c1-16-8-9-20(14-17(16)2)22-19-10-12-23(13-11-19)15-18-6-4-5-7-21(18)24-3/h4-9,14,19,22H,10-13,15H2,1-3H3
InChIKeyXMZPWASTNWXGNV-UHFFFAOYSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-4-amine
CID 3362451
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56816190
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine (CID 3373355) is N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccccc1CN1CCC(Nc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is XMZPWASTNWXGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16-8-9-20(14-17(16)2)22-19-10-12-23(13-11-19)15-18-6-4-5-7-21(18)24-3/h4-9,14,19,22H,10-13,15H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 3373355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).