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

C20H24BrClN2 — CID 166635652

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESClc1cc(CN(CCc2ccccc2)C2CCNCC2)ccc1Br
InChIInChI=1S/C20H24BrClN2/c21-19-7-6-17(14-20(19)22)15-24(18-8-11-23-12-9-18)13-10-16-4-2-1-3-5-16/h1-7,14,18,23H,8-13,15H2
InChIKeySMEWUMDWZFWYTB-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.90
Rot. Bonds6

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

N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166635652) has the molecular formula C20H24BrClN2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166635652
Molecular FormulaC20H24BrClN2
Molecular Weight407.78 g/mol
Exact Mass406.08
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESClc1cc(CN(CCc2ccccc2)C2CCNCC2)ccc1Br
InChIInChI=1S/C20H24BrClN2/c21-19-7-6-17(14-20(19)22)15-24(18-8-11-23-12-9-18)13-10-16-4-2-1-3-5-16/h1-7,14,18,23H,8-13,15H2
InChIKeySMEWUMDWZFWYTB-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166635652) is N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Clc1cc(CN(CCc2ccccc2)C2CCNCC2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is SMEWUMDWZFWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrClN2/c21-19-7-6-17(14-20(19)22)15-24(18-8-11-23-12-9-18)13-10-16-4-2-1-3-5-16/h1-7,14,18,23H,8-13,15H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 407.78 g/mol, XLogP of 4.90, 6 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-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166635652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).