tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate

C11H22N2O2 — CID 59418271

IUPACtert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate
SMILESC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9-8-12(5)6-7-13(9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyJHTVXFPQRSFQHL-VIFPVBQESA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds

About tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate

tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate (PubChem CID 59418271) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate
PubChem CID59418271
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate
SMILESC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-9-8-12(5)6-7-13(9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyJHTVXFPQRSFQHL-VIFPVBQESA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
1-BOC-3-Aminopiperidine
CID 545809
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
1-Boc-3,3-dimethylpiperazine
CID 22710387
(R)-1-Boc-3-methylpiperazine
CID 2756811
(S)-(+)-N-(Boc)-2-methylpiperidine
CID 11019870
tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 1514400
1,4-Piperazinedicarboxylic acid, 2-methyl-, diethyl ester
CID 95589
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate (CID 59418271) is tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate is C[C@H]1CN(C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate?
The InChIKey is JHTVXFPQRSFQHL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9-8-12(5)6-7-13(9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate?
tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2,4-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 59418271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).