tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine

C17H36N4O2 — CID 162156200

IUPACtert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@@H]1CNC[C@H](C)N1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;1-5-3-7-4-6(2)8-5/h8-9,12H,6-7H2,1-5H3;5-8H,3-4H2,1-2H3/t8-,9+;5-,6+
InChIKeyZLVXDNZGUQYUIP-DTDDRCLASA-N
MW328.50 g/mol
LogP1.56
Rot. Bonds

About tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine

tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine (PubChem CID 162156200) has the molecular formula C17H36N4O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine.

Molecular Properties

Compound Nametert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine
PubChem CID162156200
Molecular FormulaC17H36N4O2
Molecular Weight328.50 g/mol
Exact Mass328.28
IUPAC Nametert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@@H]1CNC[C@H](C)N1
InChIInChI=1S/C11H22N2O2.C6H14N2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;1-5-3-7-4-6(2)8-5/h8-9,12H,6-7H2,1-5H3;5-8H,3-4H2,1-2H3/t8-,9+;5-,6+
InChIKeyZLVXDNZGUQYUIP-DTDDRCLASA-N
XLogP1.56
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl 3,5-dimethylpiperazine-1-carboxylate;tert-butyl 4-ethyl-3,5-dimethylpiperazine-1-carboxylate
CID 161340584
tert-butyl (3S,5R)-3-cyclopropyl-5-methylpiperazine-1-carboxylate
CID 155904722
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 18540412
(1-amino-2-methylpropan-2-yl) (3R,5R)-3,5-dimethylpiperazine-1-carboxylate
CID 154966065
acetyl chloride;tert-butyl (3R,5S)-4-acetyl-3,5-dimethylpiperazine-1-carboxylate;bis(tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate);tert-butyl (3R,5S)-3,4,5-trimethylpiperazine-1-carboxylate;bis(dichloromethane);1-[(2R,6S)-2,6-dimethylpiperazin-1-yl]ethanone;(2R,6S)-1,2,6-trimethylpiperazine
CID 161193470
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (5S)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 167310373
tert-butyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 168903998

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine?
The IUPAC name of tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine (CID 162156200) is tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine.
What is the SMILES notation for tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine?
The canonical SMILES for tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine is C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@@H]1CNC[C@H](C)N1.
What is the InChIKey of tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine?
The InChIKey is ZLVXDNZGUQYUIP-DTDDRCLASA-N. The full InChI is InChI=1S/C11H22N2O2.C6H14N2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;1-5-3-7-4-6(2)8-5/h8-9,12H,6-7H2,1-5H3;5-8H,3-4H2,1-2H3/t8-,9+;5-,6+.
What are the key properties of tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine?
tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine has a molecular weight of 328.50 g/mol, XLogP of 1.56, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine is sourced from PubChem (CID 162156200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).