N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine

C15H22Br2N2O — CID 103411071

IUPACN-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(OC)c(Br)cc2Br)CC1
InChIInChI=1S/C15H22Br2N2O/c1-3-6-19-7-4-11(5-8-19)18-14-10-15(20-2)13(17)9-12(14)16/h9-11,18H,3-8H2,1-2H3
InChIKeyYNIXIKOOSCNOHY-UHFFFAOYSA-N
MW406.16 g/mol
LogP4.51
Rot. Bonds5

About N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine

N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine (PubChem CID 103411071) has the molecular formula C15H22Br2N2O and a molecular weight of 406.16 g/mol. Its IUPAC name is N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine
PubChem CID103411071
Molecular FormulaC15H22Br2N2O
Molecular Weight406.16 g/mol
Exact Mass404.01
IUPAC NameN-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(OC)c(Br)cc2Br)CC1
InChIInChI=1S/C15H22Br2N2O/c1-3-6-19-7-4-11(5-8-19)18-14-10-15(20-2)13(17)9-12(14)16/h9-11,18H,3-8H2,1-2H3
InChIKeyYNIXIKOOSCNOHY-UHFFFAOYSA-N
XLogP4.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-phenylphenyl)-1-propylpiperidin-4-amine
CID 2847340
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
3-bromo-4-[(1-propylpiperidin-4-yl)amino]benzoic acid
CID 82800456
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(2,4-dibromo-5-methoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 103411345
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683
N-(2,4-dibromo-5-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 103411779
3-(2,4-dibromo-5-methoxyanilino)-1-methylpyrrolidin-2-one
CID 103412782
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
3-(3-bromo-4-methoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 55570273
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine (CID 103411071) is N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(OC)c(Br)cc2Br)CC1.
What is the InChIKey of N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine?
The InChIKey is YNIXIKOOSCNOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O/c1-3-6-19-7-4-11(5-8-19)18-14-10-15(20-2)13(17)9-12(14)16/h9-11,18H,3-8H2,1-2H3.
What are the key properties of N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine?
N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine has a molecular weight of 406.16 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-5-methoxyphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 103411071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).