tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate

C17H25FN2O2 — CID 95503611

IUPACtert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H](N)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-10-8-13(9-11-20)15(19)12-4-6-14(18)7-5-12/h4-7,13,15H,8-11,19H2,1-3H3/t15-/m0/s1
InChIKeyJBCLRJCZCCDPHU-HNNXBMFYSA-N
MW308.40 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate (PubChem CID 95503611) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
PubChem CID95503611
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H](N)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-10-8-13(9-11-20)15(19)12-4-6-14(18)7-5-12/h4-7,13,15H,8-11,19H2,1-3H3/t15-/m0/s1
InChIKeyJBCLRJCZCCDPHU-HNNXBMFYSA-N
XLogP3.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592
tert-butyl 4-[(2R)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926593
tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
tert-butyl 4-[1-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]piperidine-1-carboxylate
CID 155674403
tert-butyl 4-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 139510208
tert-butyl 4-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 54485837
tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate
CID 83855819
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-[(2,5-difluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 69344572
tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate
CID 96516282
tert-butyl 4-[(1R)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731662
tert-butyl 4-[(1S)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate (CID 95503611) is tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@@H](N)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate?
The InChIKey is JBCLRJCZCCDPHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-10-8-13(9-11-20)15(19)12-4-6-14(18)7-5-12/h4-7,13,15H,8-11,19H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 95503611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).