tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate

C23H31N3O2 — CID 71591438

IUPACtert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H](c2ccccc2)C(N)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)26-16-14-25(15-17-26)21(19-12-8-5-9-13-19)20(24)18-10-6-4-7-11-18/h4-13,20-21H,14-17,24H2,1-3H3/t20?,21-/m0/s1
InChIKeyMGXMYAKBVNOAPX-LBAQZLPGSA-N
MW381.52 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate

tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate (PubChem CID 71591438) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate
PubChem CID71591438
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Nametert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@@H](c2ccccc2)C(N)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)26-16-14-25(15-17-26)21(19-12-8-5-9-13-19)20(24)18-10-6-4-7-11-18/h4-13,20-21H,14-17,24H2,1-3H3/t20?,21-/m0/s1
InChIKeyMGXMYAKBVNOAPX-LBAQZLPGSA-N
XLogP3.98
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 885644
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(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
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1-Piperidineacetamide, N-(diphenylmethyl)-
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Tert-butyl 4-benzylpiperazine-1-carboxylate
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4-(4-benzhydrylpiperazin-1-yl)-N-butyl-4-oxobutanamide;hydrochloride
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tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
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(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
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tert-butyl (2S,4S,6R)-2-benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-ethylpiperidine-1-carboxylate
CID 57963505

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate (CID 71591438) is tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN([C@@H](c2ccccc2)C(N)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate?
The InChIKey is MGXMYAKBVNOAPX-LBAQZLPGSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)26-16-14-25(15-17-26)21(19-12-8-5-9-13-19)20(24)18-10-6-4-7-11-18/h4-13,20-21H,14-17,24H2,1-3H3/t20?,21-/m0/s1.
What are the key properties of tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate?
tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-2-amino-1,2-diphenylethyl]piperazine-1-carboxylate is sourced from PubChem (CID 71591438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).