(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate

C11H23N3O2 — CID 154966065

IUPAC(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)CN)C[C@@H](C)N1
InChIInChI=1S/C11H23N3O2/c1-8-5-14(6-9(2)13-8)10(15)16-11(3,4)7-12/h8-9,13H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKeyMAWZQQJDKBHYBM-RKDXNWHRSA-N
MW229.32 g/mol
LogP0.54
Rot. Bonds2

About (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate

(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate (PubChem CID 154966065) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
PubChem CID154966065
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)CN)C[C@@H](C)N1
InChIInChI=1S/C11H23N3O2/c1-8-5-14(6-9(2)13-8)10(15)16-11(3,4)7-12/h8-9,13H,5-7,12H2,1-4H3/t8-,9-/m1/s1
InChIKeyMAWZQQJDKBHYBM-RKDXNWHRSA-N
XLogP0.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine
CID 162156200
tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-ethyl-3,5-dimethylpiperazine-1-carboxylate
CID 161340584
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
CID 70427418
tert-butyl (3S,5R)-3-cyclopropyl-5-methylpiperazine-1-carboxylate
CID 155904722
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
CID 154966130
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054
4-O-benzyl 1-O-tert-butyl (2R,6S)-2,6-dimethylpiperazine-1,4-dicarboxylate;benzyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate
CID 161087468
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate (CID 154966065) is (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)OC(C)(C)CN)C[C@@H](C)N1.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate?
The InChIKey is MAWZQQJDKBHYBM-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8-5-14(6-9(2)13-8)10(15)16-11(3,4)7-12/h8-9,13H,5-7,12H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate?
(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 154966065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).