N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine

C22H26BrClN2 — CID 166631576

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2CCC2c2ccccc2)ccc1Br
InChIInChI=1S/C22H26BrClN2/c23-20-8-6-16(14-21(20)24)15-26(18-10-12-25-13-11-18)22-9-7-19(22)17-4-2-1-3-5-17/h1-6,8,14,18-19,22,25H,7,9-13,15H2
InChIKeyHWGYSHJITRTIIY-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.60
Rot. Bonds5

About N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine

N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine (PubChem CID 166631576) has the molecular formula C22H26BrClN2 and a molecular weight of 433.82 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine
PubChem CID166631576
Molecular FormulaC22H26BrClN2
Molecular Weight433.82 g/mol
Exact Mass432.10
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2CCC2c2ccccc2)ccc1Br
InChIInChI=1S/C22H26BrClN2/c23-20-8-6-16(14-21(20)24)15-26(18-10-12-25-13-11-18)22-9-7-19(22)17-4-2-1-3-5-17/h1-6,8,14,18-19,22,25H,7,9-13,15H2
InChIKeyHWGYSHJITRTIIY-UHFFFAOYSA-N
XLogP5.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.60
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-(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]-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine (CID 166631576) is N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine is Clc1cc(CN(C2CCNCC2)C2CCC2c2ccccc2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine?
The InChIKey is HWGYSHJITRTIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrClN2/c23-20-8-6-16(14-21(20)24)15-26(18-10-12-25-13-11-18)22-9-7-19(22)17-4-2-1-3-5-17/h1-6,8,14,18-19,22,25H,7,9-13,15H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine has a molecular weight of 433.82 g/mol, XLogP of 5.60, 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-(2-phenylcyclobutyl)piperidin-4-amine is sourced from PubChem (CID 166631576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).