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

C23H30BrClN2 — CID 166636598

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine
SMILESCC(C)C(CN(Cc1ccc(Br)c(Cl)c1)C1CCNCC1)c1ccccc1
InChIInChI=1S/C23H30BrClN2/c1-17(2)21(19-6-4-3-5-7-19)16-27(20-10-12-26-13-11-20)15-18-8-9-22(24)23(25)14-18/h3-9,14,17,20-21,26H,10-13,15-16H2,1-2H3
InChIKeyCGBVZQZXSCHOKT-UHFFFAOYSA-N
MW449.86 g/mol
LogP6.10
Rot. Bonds7

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

N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine (PubChem CID 166636598) has the molecular formula C23H30BrClN2 and a molecular weight of 449.86 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine
PubChem CID166636598
Molecular FormulaC23H30BrClN2
Molecular Weight449.86 g/mol
Exact Mass448.13
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine
SMILESCC(C)C(CN(Cc1ccc(Br)c(Cl)c1)C1CCNCC1)c1ccccc1
InChIInChI=1S/C23H30BrClN2/c1-17(2)21(19-6-4-3-5-7-19)16-27(20-10-12-26-13-11-20)15-18-8-9-22(24)23(25)14-18/h3-9,14,17,20-21,26H,10-13,15-16H2,1-2H3
InChIKeyCGBVZQZXSCHOKT-UHFFFAOYSA-N
XLogP6.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
1-[(4-Bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 118109247
N-(3-chlorobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 5112934
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine (CID 166636598) is N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine is CC(C)C(CN(Cc1ccc(Br)c(Cl)c1)C1CCNCC1)c1ccccc1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine?
The InChIKey is CGBVZQZXSCHOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrClN2/c1-17(2)21(19-6-4-3-5-7-19)16-27(20-10-12-26-13-11-20)15-18-8-9-22(24)23(25)14-18/h3-9,14,17,20-21,26H,10-13,15-16H2,1-2H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine has a molecular weight of 449.86 g/mol, XLogP of 6.10, 7 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-methyl-2-phenylbutyl)piperidin-4-amine is sourced from PubChem (CID 166636598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).