ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate

C19H26FNO3 — CID 58951022

IUPACethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2(O)c3cc(F)ccc3CC2(C)C)CC1
InChIInChI=1S/C19H26FNO3/c1-4-24-17(22)21-9-7-14(8-10-21)19(23)16-11-15(20)6-5-13(16)12-18(19,2)3/h5-6,11,14,23H,4,7-10,12H2,1-3H3
InChIKeyVETDRIVVLAPAOD-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.46
Rot. Bonds2

About ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate

ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate (PubChem CID 58951022) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate
PubChem CID58951022
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Nameethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2(O)c3cc(F)ccc3CC2(C)C)CC1
InChIInChI=1S/C19H26FNO3/c1-4-24-17(22)21-9-7-14(8-10-21)19(23)16-11-15(20)6-5-13(16)12-18(19,2)3/h5-6,11,14,23H,4,7-10,12H2,1-3H3
InChIKeyVETDRIVVLAPAOD-UHFFFAOYSA-N
XLogP3.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-Butyl 4-(2-(hydroxymethyl)phenyl)piperidine-1-carboxylate
CID 57774474
Tert-butyl 4-(4-fluorophenyl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 19084679
tert-Butyl 4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 49760246
Ethyl 4-[bis(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 2724435
Tert-butyl 4-((4-fluorophenyl)(hydroxy)methyl)piperidine-1-carboxylate
CID 10614840
tert-Butyl 4-[(3-fluorophenyl)(hydroxy)methyl]piperidine-1-carboxylate
CID 11255326
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
Ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 19095587
6-Fluoro-3-(4'-fluorophenyl)-3-hydroxy-1-(1-methyl-4-piperidyl)indane
CID 20277028
3-[2-[4-[3-(4-Fluorophenyl)-1-hydroxy-6-methyl-2,3-dihydroinden-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 20277040
3-(4-Fluorophenyl)-1-[1-(1-hydroxyethyl)piperidin-4-yl]-6-methyl-2,3-dihydroinden-1-ol
CID 20277041
6-Fluoro-3-(4'-fluorophenyl)-1-hydroxy-1-(1-methyl-4-piperidyl)-indane
CID 20277052

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate (CID 58951022) is ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C2(O)c3cc(F)ccc3CC2(C)C)CC1.
What is the InChIKey of ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate?
The InChIKey is VETDRIVVLAPAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-4-24-17(22)21-9-7-14(8-10-21)19(23)16-11-15(20)6-5-13(16)12-18(19,2)3/h5-6,11,14,23H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate?
ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate has a molecular weight of 335.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-fluoro-1-hydroxy-2,2-dimethyl-3H-inden-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58951022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).