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

C16H23FN2O2 — CID 39872100

IUPACtert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-8-7-13(14(18)10-19)11-5-4-6-12(17)9-11/h4-6,9,13-14H,7-8,10,18H2,1-3H3/t13-,14+/m1/s1
InChIKeyFYDLKIMTIIGWBV-KGLIPLIRSA-N
MW294.37 g/mol
LogP2.88
Rot. Bonds1

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

tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate (PubChem CID 39872100) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate
PubChem CID39872100
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-8-7-13(14(18)10-19)11-5-4-6-12(17)9-11/h4-6,9,13-14H,7-8,10,18H2,1-3H3/t13-,14+/m1/s1
InChIKeyFYDLKIMTIIGWBV-KGLIPLIRSA-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

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Related Compounds

{2-Oxo-2-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethyl}-carbamic acid tert-butyl ester
CID 10784820
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 23641166
[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-carbamic acid methyl ester
CID 44404577
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
Tert-butyl 4-(1-(2-(3-fluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53317210
(R)-1-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)piperidin-1-yl)ethanone
CID 53317581
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
Tert-butyl 4-(1-(2-(2-fluorophenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53318501

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate (CID 39872100) is tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@@H](N)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is FYDLKIMTIIGWBV-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-8-7-13(14(18)10-19)11-5-4-6-12(17)9-11/h4-6,9,13-14H,7-8,10,18H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-amino-4-(3-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,4R)-3-amino-4-(3-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 39872100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).