tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane

C18H28FNO3 — CID 144885917

IUPACtert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(O)cc2)C(F)C1
InChIInChI=1S/C16H22FNO3.C2H6/c1-16(2,3)21-15(20)18-9-8-13(14(17)10-18)11-4-6-12(19)7-5-11;1-2/h4-7,13-14,19H,8-10H2,1-3H3;1-2H3/t13-,14?;/m0./s1
InChIKeyIPGIREIXTPCKRX-GPFYXIAXSA-N
MW325.42 g/mol
LogP4.48
Rot. Bonds1

About tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane

tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane (PubChem CID 144885917) has the molecular formula C18H28FNO3 and a molecular weight of 325.42 g/mol. Its IUPAC name is tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane
PubChem CID144885917
Molecular FormulaC18H28FNO3
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC Nametert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(O)cc2)C(F)C1
InChIInChI=1S/C16H22FNO3.C2H6/c1-16(2,3)21-15(20)18-9-8-13(14(17)10-18)11-4-6-12(19)7-5-11;1-2/h4-7,13-14,19H,8-10H2,1-3H3;1-2H3/t13-,14?;/m0./s1
InChIKeyIPGIREIXTPCKRX-GPFYXIAXSA-N
XLogP4.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane 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 tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane (CID 144885917) is tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(O)cc2)C(F)C1.
What is the InChIKey of tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane?
The InChIKey is IPGIREIXTPCKRX-GPFYXIAXSA-N. The full InChI is InChI=1S/C16H22FNO3.C2H6/c1-16(2,3)21-15(20)18-9-8-13(14(17)10-18)11-4-6-12(19)7-5-11;1-2/h4-7,13-14,19H,8-10H2,1-3H3;1-2H3/t13-,14?;/m0./s1.
What are the key properties of tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane?
tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane has a molecular weight of 325.42 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 144885917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).