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

C20H24BrClN2 — CID 166629153

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESClc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1Br
InChIInChI=1S/C20H24BrClN2/c21-19-14-17(6-7-20(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
InChIKeyGMDCCXXKICDPAE-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.90
Rot. Bonds6

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

N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166629153) has the molecular formula C20H24BrClN2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166629153
Molecular FormulaC20H24BrClN2
Molecular Weight407.78 g/mol
Exact Mass406.08
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESClc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1Br
InChIInChI=1S/C20H24BrClN2/c21-19-14-17(6-7-20(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
InChIKeyGMDCCXXKICDPAE-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

Norchlorcyclizine
CID 9340
Norchlorcyclizine, (-)-
CID 668697
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405
1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
Norchlorcyclizine, (+)-
CID 6540880
1-[(4-Bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 118109247
N-[(4-chlorophenyl)-phenyl-methyl]-1-propyl-piperidin-4-amine
CID 2846340
N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166629153) is N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Clc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is GMDCCXXKICDPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrClN2/c21-19-14-17(6-7-20(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-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-[(3-bromo-4-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-[(3-bromo-4-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166629153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).