tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C18H24FNO3 — CID 145406550

IUPACtert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2ccc(F)cc2)C1CCO
InChIInChI=1S/C18H24FNO3/c1-18(2,3)23-17(22)20-11-4-5-15(16(20)10-12-21)13-6-8-14(19)9-7-13/h5-9,16,21H,4,10-12H2,1-3H3
InChIKeyGDEIRCHCRUJLOM-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 145406550) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID145406550
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Nametert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2ccc(F)cc2)C1CCO
InChIInChI=1S/C18H24FNO3/c1-18(2,3)23-17(22)20-11-4-5-15(16(20)10-12-21)13-6-8-14(19)9-7-13/h5-9,16,21H,4,10-12H2,1-3H3
InChIKeyGDEIRCHCRUJLOM-UHFFFAOYSA-N
XLogP3.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-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

Related Compounds

C18H24Fno3
CID 665079
3-[(1S)-1-(4-fluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996040
9-hydroxy-3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996398
9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996503
3-[(1S)-1-(3,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996792
3-[(1S)-1-(2,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 68150313
1,3-Propanediol, 2-methyl-2-propyl-, N-methyl-N-(1-phenyl-2-propyl)carbamate
CID 117184
tert-butyl N-((2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl)carbamate
CID 22874327
tert-butyl N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 69232747
Methyl 2-benzyl-3-hydroxypiperidine-1-carboxylate
CID 44413822
3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate
CID 122189543
tert-Butyl (3S,4R)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 10018204

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 145406550) is tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=C(c2ccc(F)cc2)C1CCO.
What is the InChIKey of tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is GDEIRCHCRUJLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-18(2,3)23-17(22)20-11-4-5-15(16(20)10-12-21)13-6-8-14(19)9-7-13/h5-9,16,21H,4,10-12H2,1-3H3.
What are the key properties of tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 321.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(4-fluorophenyl)-6-(2-hydroxyethyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 145406550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).