methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate

C13H17FN2O2 — CID 104956290

IUPACmethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C13H17FN2O2/c1-18-13(17)11-3-2-4-16(9-11)8-10-5-12(14)7-15-6-10/h5-7,11H,2-4,8-9H2,1H3
InChIKeyVDDIAOWEBRCZOO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.61
Rot. Bonds3

About methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate

methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate (PubChem CID 104956290) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
PubChem CID104956290
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Namemethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C13H17FN2O2/c1-18-13(17)11-3-2-4-16(9-11)8-10-5-12(14)7-15-6-10/h5-7,11H,2-4,8-9H2,1H3
InChIKeyVDDIAOWEBRCZOO-UHFFFAOYSA-N
XLogP1.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673422
methyl (3S)-1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673936
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 113345079
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
ethyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-4-carboxylate
CID 113470964
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
methyl (3S)-1-[(2-chloro-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 102609431
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
ethyl (3S)-1-[[5-(4-fluoro-3-methylphenyl)-3-pyridinyl]methyl]piperidine-3-carboxylate
CID 92984931

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate (CID 104956290) is methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2cncc(F)c2)C1.
What is the InChIKey of methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate?
The InChIKey is VDDIAOWEBRCZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-13(17)11-3-2-4-16(9-11)8-10-5-12(14)7-15-6-10/h5-7,11H,2-4,8-9H2,1H3.
What are the key properties of methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate?
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 104956290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).