N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine

C20H25BrN2O2 — CID 7346256

IUPACN-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H25BrN2O2/c1-24-19-8-3-15(20(13-19)25-2)14-23-11-9-18(10-12-23)22-17-6-4-16(21)5-7-17/h3-8,13,18,22H,9-12,14H2,1-2H3
InChIKeyIOVMUCRBAICBOJ-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.54
Rot. Bonds6

About N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine

N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 7346256) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
PubChem CID7346256
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC NameN-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H25BrN2O2/c1-24-19-8-3-15(20(13-19)25-2)14-23-11-9-18(10-12-23)22-17-6-4-16(21)5-7-17/h3-8,13,18,22H,9-12,14H2,1-2H3
InChIKeyIOVMUCRBAICBOJ-UHFFFAOYSA-N
XLogP4.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
N-(4-bromophenyl)-1-[(2-bromophenyl)methyl]piperidin-4-amine
CID 5244470
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
6-bromo-1'-[(2,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875646

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine (CID 7346256) is N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine is COc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)c(OC)c1.
What is the InChIKey of N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is IOVMUCRBAICBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-24-19-8-3-15(20(13-19)25-2)14-23-11-9-18(10-12-23)22-17-6-4-16(21)5-7-17/h3-8,13,18,22H,9-12,14H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine?
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 405.34 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 7346256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).