tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate

C18H28N2O2 — CID 124671052

IUPACtert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-11-9-14(10-12-20)13-16(19)15-7-5-4-6-8-15/h4-8,14,16H,9-13,19H2,1-3H3/t16-/m0/s1
InChIKeyJAIJWTGWXNIDPS-INIZCTEOSA-N
MW304.43 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate (PubChem CID 124671052) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
PubChem CID124671052
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C[C@H](N)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-11-9-14(10-12-20)13-16(19)15-7-5-4-6-8-15/h4-8,14,16H,9-13,19H2,1-3H3/t16-/m0/s1
InChIKeyJAIJWTGWXNIDPS-INIZCTEOSA-N
XLogP3.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.72
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 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
tert-butyl 4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 113257732
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxylate
CID 137373194

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate (CID 124671052) is tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C[C@H](N)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate?
The InChIKey is JAIJWTGWXNIDPS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-11-9-14(10-12-20)13-16(19)15-7-5-4-6-8-15/h4-8,14,16H,9-13,19H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 124671052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).