tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate

C56H112N10O12 — CID 159349141

IUPACtert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)(C)C)CCN1.CC1CN(C(=O)OC(C)(C)C)CCN1.CC1CNCC(C)N1C(=O)OC(C)(C)C.COCC1CN(C(=O)OC(C)(C)C)CCN1.COCC1CNCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3.C12H24N2O2.C11H22N2O3.C11H22N2O2.C10H20N2O2/c1-9-6-13-7-10(8-16-5)14(9)11(15)17-12(2,3)4;1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5;1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4;1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h9-10,13H,6-8H2,1-5H3;9-10,13H,6-8H2,1-5H3;9,12H,5-8H2,1-4H3;8-9,12H,6-7H2,1-5H3;8,11H,5-7H2,1-4H3
InChIKeyLHCKVZAYAKGGHP-UHFFFAOYSA-N
MW1117.57 g/mol
LogP6.74
Rot. Bonds5

About tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate

tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate (PubChem CID 159349141) has the molecular formula C56H112N10O12 and a molecular weight of 1117.57 g/mol. Its IUPAC name is tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
PubChem CID159349141
Molecular FormulaC56H112N10O12
Molecular Weight1117.57 g/mol
Exact Mass1116.85
IUPAC Nametert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(C)(C)C)CCN1.CC1CN(C(=O)OC(C)(C)C)CCN1.CC1CNCC(C)N1C(=O)OC(C)(C)C.COCC1CN(C(=O)OC(C)(C)C)CCN1.COCC1CNCC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3.C12H24N2O2.C11H22N2O3.C11H22N2O2.C10H20N2O2/c1-9-6-13-7-10(8-16-5)14(9)11(15)17-12(2,3)4;1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5;1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4;1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h9-10,13H,6-8H2,1-5H3;9-10,13H,6-8H2,1-5H3;9,12H,5-8H2,1-4H3;8-9,12H,6-7H2,1-5H3;8,11H,5-7H2,1-4H3
InChIKeyLHCKVZAYAKGGHP-UHFFFAOYSA-N
XLogP6.74
TPSA226.31 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.57
LogP ≤ 56.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;tert-butyl N-[(3S)-1-propan-2-ylpiperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-propan-2-ylpiperidin-3-yl]carbamate;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine
CID 157300271
Tert-butyl 4-(2-propan-2-yloxyethyl)piperazine-1-carboxylate;1,2-dimethyl-4-(2-propan-2-yloxyethyl)piperazine;1-ethyl-4-(2-propan-2-yloxyethyl)piperazine;1-(2-methoxyethyl)-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;3-methyl-1-(2-propan-2-yloxyethyl)piperazine;4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1,2,2-trimethyl-4-(2-propan-2-yloxyethyl)piperazine;1,2,6-trimethyl-4-(2-propan-2-yloxyethyl)piperazine
CID 157814546
Tert-butyl 4-(4,4-dimethylpentan-2-yl)piperazine-1-carboxylate;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-3,3-dimethylmorpholine;4-(3,3-dimethylbutyl)-3-methylmorpholine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidine;4-(4,4-dimethylpentan-2-yl)morpholine;1-(4,4-dimethylpentan-2-yl)piperidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;methane;bis(4-(2,3,3-trimethylbutyl)morpholine)
CID 157956362
Tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate
CID 158005141
bis(tert-butyl (3R,5S)-3,5-dimethylpiperidine-1-carboxylate);tert-butyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;(3R,5S)-3,5-dimethylpiperidine;(2R,6S)-2,6-dimethyl-1-propan-2-ylpiperazine
CID 158040858
Tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158129059
Tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
CID 158201420
Tert-butyl 4-tert-butylpiperazine-1-carboxylate;4-tert-butylmorpholine;1-tert-butylpiperidine;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 158957433
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 159317189
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
CID 159337539
Tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
CID 159578613
1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine
CID 159664651

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate (CID 159349141) is tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CN(C(=O)OC(C)(C)C)CCN1.CC1CN(C(=O)OC(C)(C)C)CCN1.CC1CNCC(C)N1C(=O)OC(C)(C)C.COCC1CN(C(=O)OC(C)(C)C)CCN1.COCC1CNCC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is LHCKVZAYAKGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.C12H24N2O2.C11H22N2O3.C11H22N2O2.C10H20N2O2/c1-9-6-13-7-10(8-16-5)14(9)11(15)17-12(2,3)4;1-9(2)10-8-14(7-6-13-10)11(15)16-12(3,4)5;1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4;1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h9-10,13H,6-8H2,1-5H3;9-10,13H,6-8H2,1-5H3;9,12H,5-8H2,1-4H3;8-9,12H,6-7H2,1-5H3;8,11H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 1117.57 g/mol, XLogP of 6.74, 5 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 159349141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).