(1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C17H25FN2O4 — CID 68712810

IUPAC(1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(O)c1cccc(OC2CCN(C(=O)OC(C)(C)CF)CC2)n1
InChIInChI=1S/C17H25FN2O4/c1-12(21)14-5-4-6-15(19-14)23-13-7-9-20(10-8-13)16(22)24-17(2,3)11-18/h4-6,12-13,21H,7-11H2,1-3H3
InChIKeyYCNGMPXBWQVLFN-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.86
Rot. Bonds5

About (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

(1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 68712810) has the molecular formula C17H25FN2O4 and a molecular weight of 340.39 g/mol. Its IUPAC name is (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID68712810
Molecular FormulaC17H25FN2O4
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name(1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(O)c1cccc(OC2CCN(C(=O)OC(C)(C)CF)CC2)n1
InChIInChI=1S/C17H25FN2O4/c1-12(21)14-5-4-6-15(19-14)23-13-7-9-20(10-8-13)16(22)24-17(2,3)11-18/h4-6,12-13,21H,7-11H2,1-3H3
InChIKeyYCNGMPXBWQVLFN-UHFFFAOYSA-N
XLogP2.86
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 68712810) is (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CC(O)c1cccc(OC2CCN(C(=O)OC(C)(C)CF)CC2)n1.
What is the InChIKey of (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is YCNGMPXBWQVLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4/c1-12(21)14-5-4-6-15(19-14)23-13-7-9-20(10-8-13)16(22)24-17(2,3)11-18/h4-6,12-13,21H,7-11H2,1-3H3.
What are the key properties of (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
(1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 68712810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).