2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine

C15H22BrClN2 — CID 82774438

IUPAC2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
SMILESCC(c1ccc(Br)cc1Cl)N1CCCC(CCN)C1
InChIInChI=1S/C15H22BrClN2/c1-11(14-5-4-13(16)9-15(14)17)19-8-2-3-12(10-19)6-7-18/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3
InChIKeyCPSJPPHTAKNQID-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine

2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine (PubChem CID 82774438) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
PubChem CID82774438
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
SMILESCC(c1ccc(Br)cc1Cl)N1CCCC(CCN)C1
InChIInChI=1S/C15H22BrClN2/c1-11(14-5-4-13(16)9-15(14)17)19-8-2-3-12(10-19)6-7-18/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3
InChIKeyCPSJPPHTAKNQID-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
2-[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728172
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687
2-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728173
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
CID 82773468
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603
8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82773880
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine (CID 82774438) is 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine is CC(c1ccc(Br)cc1Cl)N1CCCC(CCN)C1.
What is the InChIKey of 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is CPSJPPHTAKNQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-11(14-5-4-13(16)9-15(14)17)19-8-2-3-12(10-19)6-7-18/h4-5,9,11-12H,2-3,6-8,10,18H2,1H3.
What are the key properties of 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine?
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 345.71 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 82774438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).