fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate

C13H16FNO3 — CID 145317966

IUPACfluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate
SMILESO=C(OF)C1CCN(c2ccccc2CO)CC1
InChIInChI=1S/C13H16FNO3/c14-18-13(17)10-5-7-15(8-6-10)12-4-2-1-3-11(12)9-16/h1-4,10,16H,5-9H2
InChIKeyLOSBUJFMQWSYPB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.82
Rot. Bonds3

About fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate

fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate (PubChem CID 145317966) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namefluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate
PubChem CID145317966
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namefluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate
SMILESO=C(OF)C1CCN(c2ccccc2CO)CC1
InChIInChI=1S/C13H16FNO3/c14-18-13(17)10-5-7-15(8-6-10)12-4-2-1-3-11(12)9-16/h1-4,10,16H,5-9H2
InChIKeyLOSBUJFMQWSYPB-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate?
The IUPAC name of fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate (CID 145317966) is fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate.
What is the SMILES notation for fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate?
The canonical SMILES for fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate is O=C(OF)C1CCN(c2ccccc2CO)CC1.
What is the InChIKey of fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate?
The InChIKey is LOSBUJFMQWSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-18-13(17)10-5-7-15(8-6-10)12-4-2-1-3-11(12)9-16/h1-4,10,16H,5-9H2.
What are the key properties of fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate?
fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate has a molecular weight of 253.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 145317966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).