methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate

C9H19N3O2 — CID 146514103

IUPACmethyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate
SMILESCNN1[C@H](C)CN(C(=O)OC)C[C@@H]1C
InChIInChI=1S/C9H19N3O2/c1-7-5-11(9(13)14-4)6-8(2)12(7)10-3/h7-8,10H,5-6H2,1-4H3/t7-,8+
InChIKeyPSQNESXCLMWDKE-OCAPTIKFSA-N
MW201.27 g/mol
LogP0.28
Rot. Bonds1

About methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate

methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate (PubChem CID 146514103) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate
PubChem CID146514103
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namemethyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate
SMILESCNN1[C@H](C)CN(C(=O)OC)C[C@@H]1C
InChIInChI=1S/C9H19N3O2/c1-7-5-11(9(13)14-4)6-8(2)12(7)10-3/h7-8,10H,5-6H2,1-4H3/t7-,8+
InChIKeyPSQNESXCLMWDKE-OCAPTIKFSA-N
XLogP0.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate 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

methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl 3-methylsulfonylazetidine-1-carboxylate
CID 176706532
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
CID 756933
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 45089180
methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134346989
methyl 8-azabicyclo[4.3.2]undecane-8-carboxylate
CID 90845104
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
4-amino-1-methoxycarbonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 170992486
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate?
The IUPAC name of methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate (CID 146514103) is methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate.
What is the SMILES notation for methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate?
The canonical SMILES for methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate is CNN1[C@H](C)CN(C(=O)OC)C[C@@H]1C.
What is the InChIKey of methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate?
The InChIKey is PSQNESXCLMWDKE-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7-5-11(9(13)14-4)6-8(2)12(7)10-3/h7-8,10H,5-6H2,1-4H3/t7-,8+.
What are the key properties of methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate?
methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-3,5-dimethyl-4-(methylamino)piperazine-1-carboxylate is sourced from PubChem (CID 146514103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).