(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid

C11H22N2O2 — CID 175103708

IUPAC(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)[C@@](C)(C(C)(C)C)CN1
InChIInChI=1S/C11H22N2O2/c1-8-6-13(9(14)15)11(5,7-12-8)10(2,3)4/h8,12H,6-7H2,1-5H3,(H,14,15)/t8-,11-/m1/s1
InChIKeyMIBMGMZDYUWUIW-LDYMZIIASA-N
MW214.31 g/mol
LogP1.76
Rot. Bonds

About (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid

(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid (PubChem CID 175103708) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid
PubChem CID175103708
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(C(=O)O)[C@@](C)(C(C)(C)C)CN1
InChIInChI=1S/C11H22N2O2/c1-8-6-13(9(14)15)11(5,7-12-8)10(2,3)4/h8,12H,6-7H2,1-5H3,(H,14,15)/t8-,11-/m1/s1
InChIKeyMIBMGMZDYUWUIW-LDYMZIIASA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
(2S,4R)-2-tert-butyl-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
CID 171774635
1,2,2,5-tetramethylpiperazine
CID 64846101
(2,3,4-trifluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82249866
(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
(5R)-2,2,3,3-tetratert-butyl-5-methyl-1,4-diazepane-1-carboxylic acid
CID 124524414
methyl 2-tert-butyl-2-methylpiperazine-1-carboxylate
CID 175400977
(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82247181
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127
(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82246999
2,2,5-trimethyl-1-methylsulfonylpiperazine
CID 82241466
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid (CID 175103708) is (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid is C[C@@H]1CN(C(=O)O)[C@@](C)(C(C)(C)C)CN1.
What is the InChIKey of (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid?
The InChIKey is MIBMGMZDYUWUIW-LDYMZIIASA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-6-13(9(14)15)11(5,7-12-8)10(2,3)4/h8,12H,6-7H2,1-5H3,(H,14,15)/t8-,11-/m1/s1.
What are the key properties of (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid?
(2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-tert-butyl-2,5-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 175103708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).