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

C12H15FN2O2 — CID 115538419

IUPACmethyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncccc2F)C1
InChIInChI=1S/C12H15FN2O2/c1-17-12(16)9-4-3-7-15(8-9)11-10(13)5-2-6-14-11/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyPYPHGJOHJNIQLM-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.61
Rot. Bonds2

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

methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 115538419) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
PubChem CID115538419
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Namemethyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2ncccc2F)C1
InChIInChI=1S/C12H15FN2O2/c1-17-12(16)9-4-3-7-15(8-9)11-10(13)5-2-6-14-11/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyPYPHGJOHJNIQLM-UHFFFAOYSA-N
XLogP1.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-1-(3-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 129371703
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate (CID 115538419) is methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate is COC(=O)C1CCCN(c2ncccc2F)C1.
What is the InChIKey of methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is PYPHGJOHJNIQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-12(16)9-4-3-7-15(8-9)11-10(13)5-2-6-14-11/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate?
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate has a molecular weight of 238.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 115538419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).