1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine

C14H20BrClN2 — CID 62915942

IUPAC1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2cc(Br)ccc2Cl)CC1C
InChIInChI=1S/C14H20BrClN2/c1-3-17-13-6-7-18(9-10(13)2)14-8-11(15)4-5-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyBTHMFVKXDVKXQW-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.93
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine

1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 62915942) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID62915942
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2cc(Br)ccc2Cl)CC1C
InChIInChI=1S/C14H20BrClN2/c1-3-17-13-6-7-18(9-10(13)2)14-8-11(15)4-5-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyBTHMFVKXDVKXQW-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975148
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975397
1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975601
N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62914683
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 107636305
1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
CID 104727298
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
1-(5-bromo-2-chlorophenyl)-3-methylpiperidin-4-one
CID 62915589
N-ethyl-3-methyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-4-amine
CID 107644985
N-[[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 79188467
1-(4-bromo-2-ethylphenyl)-N-ethylpyrrolidin-3-amine
CID 81288727
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine (CID 62915942) is 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(c2cc(Br)ccc2Cl)CC1C.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is BTHMFVKXDVKXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-3-17-13-6-7-18(9-10(13)2)14-8-11(15)4-5-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 331.69 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 62915942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).