methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate

C15H21BrN2O2 — CID 133444478

IUPACmethyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,14(19)20-3)11-5-4-8-18(10-11)13-7-6-12(16)9-17-13/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyUJSLUEFPJZCVQG-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.26
Rot. Bonds3

About methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate

methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate (PubChem CID 133444478) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
PubChem CID133444478
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Namemethyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,14(19)20-3)11-5-4-8-18(10-11)13-7-6-12(16)9-17-13/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyUJSLUEFPJZCVQG-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanoate
CID 133444559
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
CID 133444594
N-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993788
2-[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]-2,2-difluoroacetamide
CID 140574461
2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
CID 83197349
1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133270425
methyl 2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444450
tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
CID 172529779
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 83197656

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate (CID 133444478) is methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate is COC(=O)C(C)(C)C1CCCN(c2ccc(Br)cn2)C1.
What is the InChIKey of methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate?
The InChIKey is UJSLUEFPJZCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,14(19)20-3)11-5-4-8-18(10-11)13-7-6-12(16)9-17-13/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate?
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate has a molecular weight of 341.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 133444478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).