methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate

C19H21BrN2O3 — CID 175721728

IUPACmethyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2cccc(C3CCNCC3)n2)c(Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-24-19(23)14-5-6-15(16(20)11-14)12-25-18-4-2-3-17(22-18)13-7-9-21-10-8-13/h2-6,11,13,21H,7-10,12H2,1H3
InChIKeyYWTMMKYQAAFLQM-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.68
Rot. Bonds5

About methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate

methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate (PubChem CID 175721728) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate
PubChem CID175721728
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Namemethyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COc2cccc(C3CCNCC3)n2)c(Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-24-19(23)14-5-6-15(16(20)11-14)12-25-18-4-2-3-17(22-18)13-7-9-21-10-8-13/h2-6,11,13,21H,7-10,12H2,1H3
InChIKeyYWTMMKYQAAFLQM-UHFFFAOYSA-N
XLogP3.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate with MolForge

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Related Compounds

1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
CID 163253215
4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 170081080
tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253222
N,N-dimethyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175451125
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497
methyl 3-bromo-4-[(2,6-difluorophenoxy)methyl]benzoate
CID 102765577
2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
CID 170199883
3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 167016002
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 167020774
2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
CID 175227564
CID 174096941
CID 174096941
2-[(3-fluoro-4-pyridinyl)methoxy]-6-piperidin-4-ylpyridine
CID 167093520

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate?
The IUPAC name of methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate (CID 175721728) is methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate?
The canonical SMILES for methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate is COC(=O)c1ccc(COc2cccc(C3CCNCC3)n2)c(Br)c1.
What is the InChIKey of methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate?
The InChIKey is YWTMMKYQAAFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-24-19(23)14-5-6-15(16(20)11-14)12-25-18-4-2-3-17(22-18)13-7-9-21-10-8-13/h2-6,11,13,21H,7-10,12H2,1H3.
What are the key properties of methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate?
methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate has a molecular weight of 405.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate is sourced from PubChem (CID 175721728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).