(2-fluorophenyl)methyl piperidine-4-carboxylate

C13H16FNO2 — CID 63933211

IUPAC(2-fluorophenyl)methyl piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCNCC1
InChIInChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)9-17-13(16)10-5-7-15-8-6-10/h1-4,10,15H,5-9H2
InChIKeyOHHVFOHJBZYITD-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.87
Rot. Bonds3

About (2-fluorophenyl)methyl piperidine-4-carboxylate

(2-fluorophenyl)methyl piperidine-4-carboxylate (PubChem CID 63933211) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2-fluorophenyl)methyl piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl piperidine-4-carboxylate
PubChem CID63933211
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2-fluorophenyl)methyl piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCNCC1
InChIInChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)9-17-13(16)10-5-7-15-8-6-10/h1-4,10,15H,5-9H2
InChIKeyOHHVFOHJBZYITD-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612350
(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
CID 63932202
(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 63933032
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
4-[2-[(2-fluorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829895
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
N-[(2-fluorophenyl)methoxy]-N-(3-methylpiperidin-4-yl)acetamide
CID 23324865

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl piperidine-4-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl piperidine-4-carboxylate (CID 63933211) is (2-fluorophenyl)methyl piperidine-4-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl piperidine-4-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl piperidine-4-carboxylate is O=C(OCc1ccccc1F)C1CCNCC1.
What is the InChIKey of (2-fluorophenyl)methyl piperidine-4-carboxylate?
The InChIKey is OHHVFOHJBZYITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)9-17-13(16)10-5-7-15-8-6-10/h1-4,10,15H,5-9H2.
What are the key properties of (2-fluorophenyl)methyl piperidine-4-carboxylate?
(2-fluorophenyl)methyl piperidine-4-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl piperidine-4-carboxylate is sourced from PubChem (CID 63933211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).