tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate

C19H30N2O2 — CID 175596154

IUPACtert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-6-17-14-21(18(22)23-19(3,4)5)15(2)12-20(17)13-16-10-8-7-9-11-16/h7-11,15,17H,6,12-14H2,1-5H3/t15-,17?/m0/s1
InChIKeyZIVUXKJDAMFTFZ-MYJWUSKBSA-N
MW318.46 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate

tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate (PubChem CID 175596154) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate
PubChem CID175596154
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate
SMILESCCC1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-6-17-14-21(18(22)23-19(3,4)5)15(2)12-20(17)13-16-10-8-7-9-11-16/h7-11,15,17H,6,12-14H2,1-5H3/t15-,17?/m0/s1
InChIKeyZIVUXKJDAMFTFZ-MYJWUSKBSA-N
XLogP3.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,5R)-4-benzyl-5-formyl-2-methylpiperazine-1-carboxylate
CID 86724020
tert-butyl (3R,6R)-4-benzyl-3-ethyl-6-(2-methoxy-2-oxoethyl)-1,4-diazepane-1-carboxylate
CID 174022929
tert-butyl (2R,5S)-4-benzyl-5-[(3,3-dimethylmorpholin-4-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 167526461
tert-butyl (2R,5S)-4-benzyl-2-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-ylmethyl)piperazine-1-carboxylate
CID 167526750
tert-butyl (2S)-4-benzyl-2-ethyl-3-(hydroxymethyl)piperazine-1-carboxylate
CID 176819673
tert-butyl (2R,5S)-5-(cyanomethyl)-2-methyl-4-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carboxylate
CID 134340551
tert-butyl (3R)-4-benzyl-3-methyl-1,4-diazepane-1-carboxylate
CID 70304372
4-[[2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088591
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
methyl 4-benzyl-2-ethyl-5-(hydroxymethyl)piperazine-1-carboxylate
CID 21336859
tert-butyl 4-benzyl-2-(chloromethyl)-5-oxopiperazine-1-carboxylate
CID 132575495
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate (CID 175596154) is tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate is CCC1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccccc1.
What is the InChIKey of tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate?
The InChIKey is ZIVUXKJDAMFTFZ-MYJWUSKBSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-17-14-21(18(22)23-19(3,4)5)15(2)12-20(17)13-16-10-8-7-9-11-16/h7-11,15,17H,6,12-14H2,1-5H3/t15-,17?/m0/s1.
What are the key properties of tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate?
tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 175596154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).