ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate

C18H20BrNO2 — CID 90128434

IUPACethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(Br)c(N3CCCCC3)ccc2c1
InChIInChI=1S/C18H20BrNO2/c1-2-22-18(21)14-6-8-15-13(12-14)7-9-16(17(15)19)20-10-4-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3
InChIKeyHFLWFUNDVUEUON-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.77
Rot. Bonds3

About ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate

ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate (PubChem CID 90128434) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate
PubChem CID90128434
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Nameethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(Br)c(N3CCCCC3)ccc2c1
InChIInChI=1S/C18H20BrNO2/c1-2-22-18(21)14-6-8-15-13(12-14)7-9-16(17(15)19)20-10-4-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3
InChIKeyHFLWFUNDVUEUON-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-nitro-6-piperidin-1-ylnaphthalene-2-carboxylate
CID 67360456
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
ethyl 4-[[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoate
CID 1065179
ethyl 4-amino-3-thiomorpholin-4-ylbenzoate
CID 82791433
ethyl 4-amino-3-(4-ethylpiperazin-1-yl)benzoate
CID 82785705
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
ethyl 9-methyl-2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indole-6-carboxylate
CID 10644296
methyl 6-amino-5-bromonaphthalene-2-carboperoxoate
CID 88590884
ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 167560541

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate?
The IUPAC name of ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate (CID 90128434) is ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate is CCOC(=O)c1ccc2c(Br)c(N3CCCCC3)ccc2c1.
What is the InChIKey of ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate?
The InChIKey is HFLWFUNDVUEUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-2-22-18(21)14-6-8-15-13(12-14)7-9-16(17(15)19)20-10-4-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate?
ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate has a molecular weight of 362.27 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-6-piperidin-1-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 90128434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).