N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine

C24H30BrClN2 — CID 166631683

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine
SMILESCc1ccc(C2CC(N(Cc3ccc(Br)c(Cl)c3)C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C24H30BrClN2/c1-17-3-6-19(7-4-17)20-14-22(15-20)28(21-9-11-27(2)12-10-21)16-18-5-8-23(25)24(26)13-18/h3-8,13,20-22H,9-12,14-16H2,1-2H3
InChIKeyWQIPCTIFUFJQSE-UHFFFAOYSA-N
MW461.88 g/mol
LogP6.25
Rot. Bonds5

About N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine

N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine (PubChem CID 166631683) has the molecular formula C24H30BrClN2 and a molecular weight of 461.88 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine
PubChem CID166631683
Molecular FormulaC24H30BrClN2
Molecular Weight461.88 g/mol
Exact Mass460.13
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine
SMILESCc1ccc(C2CC(N(Cc3ccc(Br)c(Cl)c3)C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C24H30BrClN2/c1-17-3-6-19(7-4-17)20-14-22(15-20)28(21-9-11-27(2)12-10-21)16-18-5-8-23(25)24(26)13-18/h3-8,13,20-22H,9-12,14-16H2,1-2H3
InChIKeyWQIPCTIFUFJQSE-UHFFFAOYSA-N
XLogP6.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.88
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 118109247
4-N-[(4-bromo-3-chlorophenyl)methyl]-4-N-[3-(4-methylphenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 166627216
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine
CID 166627229
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine
CID 166627320
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine
CID 166627559
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
CID 166628751
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylbutyl)piperidin-4-amine
CID 166629299
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 166630007
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-bromophenyl)cyclobutyl]piperidin-4-amine
CID 166630648
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]azepan-4-amine
CID 166633788
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-chlorophenyl)cyclobutyl]piperidin-4-amine
CID 166634050
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 166635472

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine (CID 166631683) is N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine is Cc1ccc(C2CC(N(Cc3ccc(Br)c(Cl)c3)C3CCN(C)CC3)C2)cc1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine?
The InChIKey is WQIPCTIFUFJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrClN2/c1-17-3-6-19(7-4-17)20-14-22(15-20)28(21-9-11-27(2)12-10-21)16-18-5-8-23(25)24(26)13-18/h3-8,13,20-22H,9-12,14-16H2,1-2H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine has a molecular weight of 461.88 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine is sourced from PubChem (CID 166631683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).