ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate

C14H18Br2N2O2 — CID 43780824

IUPACethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H18Br2N2O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyNQALQRSTMXSZDM-UHFFFAOYSA-N
MW406.12 g/mol
LogP4.24
Rot. Bonds3

About ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate

ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate (PubChem CID 43780824) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
PubChem CID43780824
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Nameethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H18Br2N2O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyNQALQRSTMXSZDM-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
ethyl 4-(4-bromo-2,3-dichloroanilino)piperidine-1-carboxylate
CID 107787982
ethyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003675
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
ethyl 4-[[2-(2-bromo-4-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531772
N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
CID 43683065
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate (CID 43780824) is ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(Br)cc2Br)CC1.
What is the InChIKey of ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate?
The InChIKey is NQALQRSTMXSZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate?
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate has a molecular weight of 406.12 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate is sourced from PubChem (CID 43780824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).