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

C22H25Br2ClN2 — CID 166636501

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2CC(c3cccc(Br)c3)C2)ccc1Br
InChIInChI=1S/C22H25Br2ClN2/c23-18-3-1-2-16(11-18)17-12-20(13-17)27(19-6-8-26-9-7-19)14-15-4-5-21(24)22(25)10-15/h1-5,10-11,17,19-20,26H,6-9,12-14H2
InChIKeyPUQDQEXBTLQRBL-UHFFFAOYSA-N
MW512.72 g/mol
LogP6.37
Rot. Bonds5

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

N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine (PubChem CID 166636501) has the molecular formula C22H25Br2ClN2 and a molecular weight of 512.72 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine
PubChem CID166636501
Molecular FormulaC22H25Br2ClN2
Molecular Weight512.72 g/mol
Exact Mass510.01
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2CC(c3cccc(Br)c3)C2)ccc1Br
InChIInChI=1S/C22H25Br2ClN2/c23-18-3-1-2-16(11-18)17-12-20(13-17)27(19-6-8-26-9-7-19)14-15-4-5-21(24)22(25)10-15/h1-5,10-11,17,19-20,26H,6-9,12-14H2
InChIKeyPUQDQEXBTLQRBL-UHFFFAOYSA-N
XLogP6.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.72
LogP ≤ 56.37
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-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine (CID 166636501) is N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine is Clc1cc(CN(C2CCNCC2)C2CC(c3cccc(Br)c3)C2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine?
The InChIKey is PUQDQEXBTLQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Br2ClN2/c23-18-3-1-2-16(11-18)17-12-20(13-17)27(19-6-8-26-9-7-19)14-15-4-5-21(24)22(25)10-15/h1-5,10-11,17,19-20,26H,6-9,12-14H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine has a molecular weight of 512.72 g/mol, XLogP of 6.37, 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-(3-bromophenyl)cyclobutyl]piperidin-4-amine is sourced from PubChem (CID 166636501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).