tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate

C16H23FN2O2 — CID 58356142

IUPACtert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-8-14(18)13(10-19)11-4-6-12(17)7-5-11/h4-7,13-14H,8-10,18H2,1-3H3/t13-,14-/m0/s1
InChIKeyGWLGSAFWCKBOEV-KBPBESRZSA-N
MW294.37 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate

tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 58356142) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID58356142
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-8-14(18)13(10-19)11-4-6-12(17)7-5-11/h4-7,13-14H,8-10,18H2,1-3H3/t13-,14-/m0/s1
InChIKeyGWLGSAFWCKBOEV-KBPBESRZSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)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

Related Compounds

tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
tert-butyl (3R,4S)-3-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 69060656
tert-butyl 4-(4-fluorophenyl)-3-formylpiperidine-1-carboxylate
CID 86604441
(3S,4S)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51557047
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446
tert-butyl (3S,4R)-3-amino-4-(4-methoxyphenyl)piperidine-1-carboxylate
CID 39872159
trifluoro-[[(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidin-4-yl]methyl]boranuide
CID 169209510
tert-butyl (3R,4R)-3-amino-4-pyridin-4-ylpiperidine-1-carboxylate
CID 97357623
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 3-amino-4-(3-chloro-4-fluorophenyl)pyrrolidine-1-carboxylate
CID 66715325
tert-butyl (3R,4S)-3-amino-4-(3-chloro-4-fluorophenyl)pyrrolidine-1-carboxylate
CID 170903499
tert-butyl (3S,4S)-3-amino-4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 129387404

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate (CID 58356142) is tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is GWLGSAFWCKBOEV-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-8-14(18)13(10-19)11-4-6-12(17)7-5-11/h4-7,13-14H,8-10,18H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate?
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 58356142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).