ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate

C16H22FNO3 — CID 156503749

IUPACethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(F)cccc2C(C)O)CC1
InChIInChI=1S/C16H22FNO3/c1-3-21-16(20)12-7-9-18(10-8-12)15-13(11(2)19)5-4-6-14(15)17/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeyASSIMMXEMHTEBW-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.66
Rot. Bonds4

About ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate

ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate (PubChem CID 156503749) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate
PubChem CID156503749
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nameethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(F)cccc2C(C)O)CC1
InChIInChI=1S/C16H22FNO3/c1-3-21-16(20)12-7-9-18(10-8-12)15-13(11(2)19)5-4-6-14(15)17/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeyASSIMMXEMHTEBW-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate (CID 156503749) is ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c(F)cccc2C(C)O)CC1.
What is the InChIKey of ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate?
The InChIKey is ASSIMMXEMHTEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-21-16(20)12-7-9-18(10-8-12)15-13(11(2)19)5-4-6-14(15)17/h4-6,11-12,19H,3,7-10H2,1-2H3.
What are the key properties of ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate?
ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-fluoro-6-(1-hydroxyethyl)phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 156503749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).