tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate

C17H27N3O2 — CID 51623312

IUPACtert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-9-19(10-12-20)15(13-18)14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/t15-/m0/s1
InChIKeyNOVUBWBKZLPMFG-HNNXBMFYSA-N
MW305.42 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate

tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate (PubChem CID 51623312) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
PubChem CID51623312
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-9-19(10-12-20)15(13-18)14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/t15-/m0/s1
InChIKeyNOVUBWBKZLPMFG-HNNXBMFYSA-N
XLogP2.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1S)-2-amino-1-(4-bromophenyl)ethyl]piperazine-1-carboxylate
CID 28703969
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
tert-butyl 4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 104933462
tert-butyl 4-[2-(dipropylamino)-1-phenylethyl]piperazine-1-carboxylate
CID 58786483
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
CID 82020206
tert-butyl 4-[N'-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111029795
tert-butyl 4-[1-[4-(1-aminoethyl)phenyl]propyl]piperazine-1-carboxylate
CID 175168311
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxylate
CID 104933454
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
tert-butyl 4-[1,2-bis(4-methoxyphenyl)ethyl]piperazine-1-carboxylate;ethane
CID 143935572

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate (CID 51623312) is tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate?
The InChIKey is NOVUBWBKZLPMFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-11-9-19(10-12-20)15(13-18)14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/t15-/m0/s1.
What are the key properties of tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate?
tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R)-2-amino-1-phenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 51623312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).