N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

C21H24BrClN2 — CID 166634331

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2Cc3ccccc3C2)ccc1Br
InChIInChI=1S/C21H24BrClN2/c22-20-6-5-15(11-21(20)23)14-25(18-7-9-24-10-8-18)19-12-16-3-1-2-4-17(16)13-19/h1-6,11,18-19,24H,7-10,12-14H2
InChIKeyZDEUXIFQFQDQCA-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (PubChem CID 166634331) has the molecular formula C21H24BrClN2 and a molecular weight of 419.79 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
PubChem CID166634331
Molecular FormulaC21H24BrClN2
Molecular Weight419.79 g/mol
Exact Mass418.08
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESClc1cc(CN(C2CCNCC2)C2Cc3ccccc3C2)ccc1Br
InChIInChI=1S/C21H24BrClN2/c22-20-6-5-15(11-21(20)23)14-25(18-7-9-24-10-8-18)19-12-16-3-1-2-4-17(16)13-19/h1-6,11,18-19,24H,7-10,12-14H2
InChIKeyZDEUXIFQFQDQCA-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(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-(3-chlorophenyl)cyclobutyl]piperidin-4-amine
CID 166634050
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 166635472
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166635652
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-bromophenyl)cyclobutyl]piperidin-4-amine
CID 166636501
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]-2-azabicyclo[2.2.1]heptan-6-amine
CID 166626423
N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166629153

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (CID 166634331) is N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is Clc1cc(CN(C2CCNCC2)C2Cc3ccccc3C2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The InChIKey is ZDEUXIFQFQDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN2/c22-20-6-5-15(11-21(20)23)14-25(18-7-9-24-10-8-18)19-12-16-3-1-2-4-17(16)13-19/h1-6,11,18-19,24H,7-10,12-14H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine has a molecular weight of 419.79 g/mol, XLogP of 4.82, 4 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-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is sourced from PubChem (CID 166634331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).