1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate

C209H439N34O16+ — CID 157322038

IUPAC1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(C(=O)C2CC2)C(CO)C1.CC1C(=O)N(C)CCN1C(C)(C)C.CC1CC(C)CN(C(C)(C)C)C1.CC1CCCCN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1C.CC1CN(C(C)(C)C)CC(C)[N+]1(C)C.CC1CN(C)CCN1C(C)(C)C.CCC1CCCCN1C(C)(C)C.CCC1CN(C(C)(C)C)CCN1.CCC1CN(C)CCN1C(C)(C)C.CN1CCN(C(C)(C)C)C(CO)C1.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1CCO.COC(=O)N1CCN(C(C)(C)C)CC1CO.COCC(=O)N1C(C)CN(C(C)(C)C)CC1C.COCC(=O)N1CCN(C(C)(C)C)C(C)C1.COCC(=O)N1CCN(C(C)(C)C)CC1.COCC1CN(C(C)(C)C)CCN1C
InChIInChI=1S/C13H24N2O2.C13H26N2O2.C12H24N2O2.C12H27N2.C11H22N2O3.C11H22N2O2.2C11H24N2O.3C11H24N2.2C11H23N.C10H20N2O.C10H22N2O.2C10H22N2.C10H21NO.C10H21N/c1-13(2,3)14-6-7-15(11(8-14)9-16)12(17)10-4-5-10;1-10-7-14(13(3,4)5)8-11(2)15(10)12(16)9-17-6;1-10-8-13(11(15)9-16-5)6-7-14(10)12(2,3)4;1-10-8-13(12(3,4)5)9-11(2)14(10,6)7;1-11(2,3)12-5-6-13(10(15)16-4)9(7-12)8-14;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-11(2,3)13-7-6-12(4)10(8-13)9-14-5;1-11(2,3)13-7-6-12(4)10(9-13)5-8-14;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-6-10-9-12(5)7-8-13(10)11(2,3)4;1-9-6-10(2)8-12(7-9)11(3,4)5;1-5-10-8-6-7-9-12(10)11(2,3)4;1-8-9(13)11(5)6-7-12(8)10(2,3)4;1-10(2,3)12-6-5-11(4)7-9(12)8-13;1-9-8-11(5)6-7-12(9)10(2,3)4;1-5-9-8-12(7-6-11-9)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)8-12;1-9-7-5-6-8-11(9)10(2,3)4/h10-11,16H,4-9H2,1-3H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;10-11H,8-9H2,1-7H3;9,14H,5-8H2,1-4H3;5-9H2,1-4H3;10H,6-9H2,1-5H3;10,14H,5-9H2,1-4H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8H,6-7H2,1-5H3;9,13H,5-8H2,1-4H3;9H,6-8H2,1-5H3;9,11H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3/q;;;+1;;;;;;;;;;;;;;;
InChIKeyAPWPVSZFVVMZRY-UHFFFAOYSA-N
MW3685.03 g/mol
LogP27.67
Rot. Bonds18

About 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate

1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate (PubChem CID 157322038) has the molecular formula C209H439N34O16+ and a molecular weight of 3685.03 g/mol. Its IUPAC name is 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
PubChem CID157322038
Molecular FormulaC209H439N34O16+
Molecular Weight3685.03 g/mol
Exact Mass3682.46
IUPAC Name1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
SMILESCC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(C(=O)C2CC2)C(CO)C1.CC1C(=O)N(C)CCN1C(C)(C)C.CC1CC(C)CN(C(C)(C)C)C1.CC1CCCCN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1C.CC1CN(C(C)(C)C)CC(C)[N+]1(C)C.CC1CN(C)CCN1C(C)(C)C.CCC1CCCCN1C(C)(C)C.CCC1CN(C(C)(C)C)CCN1.CCC1CN(C)CCN1C(C)(C)C.CN1CCN(C(C)(C)C)C(CO)C1.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1CCO.COC(=O)N1CCN(C(C)(C)C)CC1CO.COCC(=O)N1C(C)CN(C(C)(C)C)CC1C.COCC(=O)N1CCN(C(C)(C)C)C(C)C1.COCC(=O)N1CCN(C(C)(C)C)CC1.COCC1CN(C(C)(C)C)CCN1C
InChIInChI=1S/C13H24N2O2.C13H26N2O2.C12H24N2O2.C12H27N2.C11H22N2O3.C11H22N2O2.2C11H24N2O.3C11H24N2.2C11H23N.C10H20N2O.C10H22N2O.2C10H22N2.C10H21NO.C10H21N/c1-13(2,3)14-6-7-15(11(8-14)9-16)12(17)10-4-5-10;1-10-7-14(13(3,4)5)8-11(2)15(10)12(16)9-17-6;1-10-8-13(11(15)9-16-5)6-7-14(10)12(2,3)4;1-10-8-13(12(3,4)5)9-11(2)14(10,6)7;1-11(2,3)12-5-6-13(10(15)16-4)9(7-12)8-14;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-11(2,3)13-7-6-12(4)10(8-13)9-14-5;1-11(2,3)13-7-6-12(4)10(9-13)5-8-14;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-6-10-9-12(5)7-8-13(10)11(2,3)4;1-9-6-10(2)8-12(7-9)11(3,4)5;1-5-10-8-6-7-9-12(10)11(2,3)4;1-8-9(13)11(5)6-7-12(8)10(2,3)4;1-10(2,3)12-6-5-11(4)7-9(12)8-13;1-9-8-11(5)6-7-12(9)10(2,3)4;1-5-9-8-12(7-6-11-9)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)8-12;1-9-7-5-6-8-11(9)10(2,3)4/h10-11,16H,4-9H2,1-3H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;10-11H,8-9H2,1-7H3;9,14H,5-8H2,1-4H3;5-9H2,1-4H3;10H,6-9H2,1-5H3;10,14H,5-9H2,1-4H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8H,6-7H2,1-5H3;9,13H,5-8H2,1-4H3;9H,6-8H2,1-5H3;9,11H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3/q;;;+1;;;;;;;;;;;;;;;
InChIKeyAPWPVSZFVVMZRY-UHFFFAOYSA-N
XLogP27.67
TPSA365.43 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds18
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003685.03
LogP ≤ 527.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)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

1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;2-(4-tert-butylpiperazin-1-yl)ethanol;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;(1-tert-butylpiperidin-2-yl) formate;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate;methane
CID 159046213
1-Tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-2-ethylpiperidine;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methane
CID 159098580
4-Tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;(4-tert-butyl-1-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;(4-tert-butylpiperazin-2-yl)methanol;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;(1,4-ditert-butylpiperazin-2-yl)methanol;methane;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 159195979
1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;4-tert-butyl-N-methoxypiperazine-2-carboxamide;4-tert-butyl-N-methylpiperazine-2-carboxamide;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;(4-tert-butyl-1-methylpiperazin-2-yl)methanol;4-tert-butylpiperazine-2-carboxamide;(4-tert-butylpiperazin-2-yl)methanol;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,2,2-trimethylpiperazine;N,4-ditert-butylpiperazine-2-carboxamide;(1,4-ditert-butylpiperazin-2-yl)methanol;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 161564752
1-tert-butyl-2-ethyl-4-methylpiperazine;4-tert-butyl-2-ethyl-1-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;4-tert-butyl-N-methoxypiperazine-2-carboxamide;4-tert-butyl-N-methylpiperazine-2-carboxamide;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butylpiperazin-2-yl)ethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,2,2-trimethylpiperazine;2-(4-tert-butyl-1,6,6-trimethylpiperazin-2-yl)ethanol;(1,4-ditert-butylpiperazin-2-yl)methanol;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 161732505

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
The IUPAC name of 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate (CID 157322038) is 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate.
What is the SMILES notation for 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
The canonical SMILES for 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate is CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(C(=O)C2CC2)C(CO)C1.CC1C(=O)N(C)CCN1C(C)(C)C.CC1CC(C)CN(C(C)(C)C)C1.CC1CCCCN1C(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1C.CC1CN(C(C)(C)C)CC(C)[N+]1(C)C.CC1CN(C)CCN1C(C)(C)C.CCC1CCCCN1C(C)(C)C.CCC1CN(C(C)(C)C)CCN1.CCC1CN(C)CCN1C(C)(C)C.CN1CCN(C(C)(C)C)C(CO)C1.CN1CCN(C(C)(C)C)CC1(C)C.CN1CCN(C(C)(C)C)CC1CCO.COC(=O)N1CCN(C(C)(C)C)CC1CO.COCC(=O)N1C(C)CN(C(C)(C)C)CC1C.COCC(=O)N1CCN(C(C)(C)C)C(C)C1.COCC(=O)N1CCN(C(C)(C)C)CC1.COCC1CN(C(C)(C)C)CCN1C.
What is the InChIKey of 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
The InChIKey is APWPVSZFVVMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C13H26N2O2.C12H24N2O2.C12H27N2.C11H22N2O3.C11H22N2O2.2C11H24N2O.3C11H24N2.2C11H23N.C10H20N2O.C10H22N2O.2C10H22N2.C10H21NO.C10H21N/c1-13(2,3)14-6-7-15(11(8-14)9-16)12(17)10-4-5-10;1-10-7-14(13(3,4)5)8-11(2)15(10)12(16)9-17-6;1-10-8-13(11(15)9-16-5)6-7-14(10)12(2,3)4;1-10-8-13(12(3,4)5)9-11(2)14(10,6)7;1-11(2,3)12-5-6-13(10(15)16-4)9(7-12)8-14;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-11(2,3)13-7-6-12(4)10(8-13)9-14-5;1-11(2,3)13-7-6-12(4)10(9-13)5-8-14;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-10(2,3)13-8-7-12(6)11(4,5)9-13;1-6-10-9-12(5)7-8-13(10)11(2,3)4;1-9-6-10(2)8-12(7-9)11(3,4)5;1-5-10-8-6-7-9-12(10)11(2,3)4;1-8-9(13)11(5)6-7-12(8)10(2,3)4;1-10(2,3)12-6-5-11(4)7-9(12)8-13;1-9-8-11(5)6-7-12(9)10(2,3)4;1-5-9-8-12(7-6-11-9)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)8-12;1-9-7-5-6-8-11(9)10(2,3)4/h10-11,16H,4-9H2,1-3H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;10-11H,8-9H2,1-7H3;9,14H,5-8H2,1-4H3;5-9H2,1-4H3;10H,6-9H2,1-5H3;10,14H,5-9H2,1-4H3;9-10H,7-8H2,1-6H3;7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;8H,6-7H2,1-5H3;9,13H,5-8H2,1-4H3;9H,6-8H2,1-5H3;9,11H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3/q;;;+1;;;;;;;;;;;;;;;.
What are the key properties of 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate?
1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate has a molecular weight of 3685.03 g/mol, XLogP of 27.67, 18 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-dimethylpiperazine;4-tert-butyl-1,3-dimethylpiperazin-2-one;1-(4-tert-butyl-2,6-dimethylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-3,5-dimethylpiperidine;1-tert-butyl-2-ethyl-4-methylpiperazine;1-tert-butyl-3-ethylpiperazine;1-tert-butyl-2-ethylpiperidine;[4-tert-butyl-2-(hydroxymethyl)piperazin-1-yl]-cyclopropylmethanone;4-tert-butyl-2-(methoxymethyl)-1-methylpiperazine;2-(4-tert-butyl-1-methylpiperazin-2-yl)ethanol;(1-tert-butyl-4-methylpiperazin-2-yl)methanol;1-(4-tert-butyl-3-methylpiperazin-1-yl)-2-methoxyethanone;1-tert-butyl-2-methylpiperidine;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;(1-tert-butylpiperidin-2-yl)methanol;4-tert-butyl-1,1,2,6-tetramethylpiperazin-1-ium;4-tert-butyl-1,2,2-trimethylpiperazine;4-tert-butyl-1,2,6-trimethylpiperazine;methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate is sourced from PubChem (CID 157322038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).