methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate

C11H14BrN3O2 — CID 115538351

IUPACmethyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H14BrN3O2/c1-17-10(16)9-4-2-3-5-15(9)11-13-6-8(12)7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyGLRNMICFGKXVMW-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.77
Rot. Bonds2

About methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate

methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate (PubChem CID 115538351) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
PubChem CID115538351
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Namemethyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncc(Br)cn1
InChIInChI=1S/C11H14BrN3O2/c1-17-10(16)9-4-2-3-5-15(9)11-13-6-8(12)7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyGLRNMICFGKXVMW-UHFFFAOYSA-N
XLogP1.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-quinazolin-2-ylpiperidine-2-carboxylate
CID 114789710
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989704
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-2-carboxylate
CID 62000438
methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 166391031
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(6-carbamothioyl-3-pyridinyl)piperidine-2-carboxylate
CID 115534797

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate (CID 115538351) is methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ncc(Br)cn1.
What is the InChIKey of methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate?
The InChIKey is GLRNMICFGKXVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-17-10(16)9-4-2-3-5-15(9)11-13-6-8(12)7-14-11/h6-7,9H,2-5H2,1H3.
What are the key properties of methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate?
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate has a molecular weight of 300.16 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115538351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).