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

C22H25BrClFN2 — CID 166627229

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine
SMILESFc1ccc(C2CC(N(Cc3ccc(Br)c(Cl)c3)C3CCNCC3)C2)cc1
InChIInChI=1S/C22H25BrClFN2/c23-21-6-1-15(11-22(21)24)14-27(19-7-9-26-10-8-19)20-12-17(13-20)16-2-4-18(25)5-3-16/h1-6,11,17,19-20,26H,7-10,12-14H2
InChIKeyUJQLKLNFWMEPIL-UHFFFAOYSA-N
MW451.81 g/mol
LogP5.74
Rot. Bonds5

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

N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine (PubChem CID 166627229) has the molecular formula C22H25BrClFN2 and a molecular weight of 451.81 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine
PubChem CID166627229
Molecular FormulaC22H25BrClFN2
Molecular Weight451.81 g/mol
Exact Mass450.09
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine
SMILESFc1ccc(C2CC(N(Cc3ccc(Br)c(Cl)c3)C3CCNCC3)C2)cc1
InChIInChI=1S/C22H25BrClFN2/c23-21-6-1-15(11-22(21)24)14-27(19-7-9-26-10-8-19)20-12-17(13-20)16-2-4-18(25)5-3-16/h1-6,11,17,19-20,26H,7-10,12-14H2
InChIKeyUJQLKLNFWMEPIL-UHFFFAOYSA-N
XLogP5.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.81
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
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-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]-1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-4-amine
CID 166631683
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-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 166634331

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine (CID 166627229) is N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine is Fc1ccc(C2CC(N(Cc3ccc(Br)c(Cl)c3)C3CCNCC3)C2)cc1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine?
The InChIKey is UJQLKLNFWMEPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrClFN2/c23-21-6-1-15(11-22(21)24)14-27(19-7-9-26-10-8-19)20-12-17(13-20)16-2-4-18(25)5-3-16/h1-6,11,17,19-20,26H,7-10,12-14H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine has a molecular weight of 451.81 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine is sourced from PubChem (CID 166627229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).