ethyl 4-(3-bromoanilino)piperidine-1-carboxylate

C14H19BrN2O2 — CID 43762800

IUPACethyl 4-(3-bromoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-2-19-14(18)17-8-6-12(7-9-17)16-13-5-3-4-11(15)10-13/h3-5,10,12,16H,2,6-9H2,1H3
InChIKeyVKFYFNUOGPILMZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.48
Rot. Bonds3

About ethyl 4-(3-bromoanilino)piperidine-1-carboxylate

ethyl 4-(3-bromoanilino)piperidine-1-carboxylate (PubChem CID 43762800) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is ethyl 4-(3-bromoanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-bromoanilino)piperidine-1-carboxylate
PubChem CID43762800
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Nameethyl 4-(3-bromoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-2-19-14(18)17-8-6-12(7-9-17)16-13-5-3-4-11(15)10-13/h3-5,10,12,16H,2,6-9H2,1H3
InChIKeyVKFYFNUOGPILMZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
CID 173102328
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
CID 43781917
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
[4-(3-bromoanilino)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 5239630

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-bromoanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-bromoanilino)piperidine-1-carboxylate (CID 43762800) is ethyl 4-(3-bromoanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-bromoanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-bromoanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cccc(Br)c2)CC1.
What is the InChIKey of ethyl 4-(3-bromoanilino)piperidine-1-carboxylate?
The InChIKey is VKFYFNUOGPILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-19-14(18)17-8-6-12(7-9-17)16-13-5-3-4-11(15)10-13/h3-5,10,12,16H,2,6-9H2,1H3.
What are the key properties of ethyl 4-(3-bromoanilino)piperidine-1-carboxylate?
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate has a molecular weight of 327.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-bromoanilino)piperidine-1-carboxylate is sourced from PubChem (CID 43762800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).