methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate

C12H15ClN2O2 — CID 115538344

IUPACmethyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)10-6-2-3-8-15(10)11-9(13)5-4-7-14-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyYRULLYIFAOHRBJ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.27
Rot. Bonds2

About methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate

methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate (PubChem CID 115538344) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
PubChem CID115538344
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namemethyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ncccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-17-12(16)10-6-2-3-8-15(10)11-9(13)5-4-7-14-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyYRULLYIFAOHRBJ-UHFFFAOYSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429
methyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-2-carboxylate
CID 104733431
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
CID 113368331
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
CID 15546272

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate (CID 115538344) is methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ncccc1Cl.
What is the InChIKey of methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate?
The InChIKey is YRULLYIFAOHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-12(16)10-6-2-3-8-15(10)11-9(13)5-4-7-14-11/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate?
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 115538344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).