N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine

C16H25BrN2 — CID 107572074

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(C)c(Br)c(C)c2)CC1
InChIInChI=1S/C16H25BrN2/c1-4-7-19-8-5-14(6-9-19)18-15-10-12(2)16(17)13(3)11-15/h10-11,14,18H,4-9H2,1-3H3
InChIKeyJGWZNEUTLJLJIR-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.35
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine

N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine (PubChem CID 107572074) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
PubChem CID107572074
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(C)c(Br)c(C)c2)CC1
InChIInChI=1S/C16H25BrN2/c1-4-7-19-8-5-14(6-9-19)18-15-10-12(2)16(17)13(3)11-15/h10-11,14,18H,4-9H2,1-3H3
InChIKeyJGWZNEUTLJLJIR-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine
CID 117027561
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
1-propyl-N-thiophen-3-ylpiperidin-4-amine
CID 66352075
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 80901769

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine (CID 107572074) is N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(C)c(Br)c(C)c2)CC1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine?
The InChIKey is JGWZNEUTLJLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-7-19-8-5-14(6-9-19)18-15-10-12(2)16(17)13(3)11-15/h10-11,14,18H,4-9H2,1-3H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine?
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 107572074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).