1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate

C125H233N19O6 — CID 160906614

IUPAC1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(C)(C)CC1CCC(=O)O1.CC(C)(C)CCNCc1ccccn1.CC(C)(C)CCNCc1ccncc1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CCN(Cc2ccccc2)CC1.CC(C)CN1CCN(C(C)(C)C)CC1.CC(c1ccccc1)N1CCN(C(C)(C)C)CC1.CC1(CN2CCN(C(C)(C)C)CC2)COC1.CCCN1CCN(C(C)(C)C)CC1.COC(=O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26N2.C15H24N2.C14H29N3O.C13H26N2O.C12H26N2.2C12H20N2.C11H22N2O2.C11H24N2.C9H16O2/c1-14(15-8-6-5-7-9-15)17-10-12-18(13-11-17)16(2,3)4;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;1-12(2,3)15-7-5-14(6-8-15)9-13(4)10-16-11-13;1-11(2)10-13-6-8-14(9-7-13)12(3,4)5;1-12(2,3)6-9-14-10-11-4-7-13-8-5-11;1-12(2,3)7-9-13-10-11-6-4-5-8-14-11;1-11(2,3)13-7-5-12(6-8-13)9-10(14)15-4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7/h5-9,14H,10-13H2,1-4H3;4-8H,9-13H2,1-3H3;4-13H2,1-3H3;5-11H2,1-4H3;11H,6-10H2,1-5H3;4-5,7-8,14H,6,9-10H2,1-3H3;4-6,8,13H,7,9-10H2,1-3H3;5-9H2,1-4H3;5-10H2,1-4H3;7H,4-6H2,1-3H3
InChIKeySQFOEHDOILYYLW-UHFFFAOYSA-N
MW2098.37 g/mol
LogP19.73
Rot. Bonds24

About 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate

1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate (PubChem CID 160906614) has the molecular formula C125H233N19O6 and a molecular weight of 2098.37 g/mol. Its IUPAC name is 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate
PubChem CID160906614
Molecular FormulaC125H233N19O6
Molecular Weight2098.37 g/mol
Exact Mass2096.85
IUPAC Name1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(C)(C)CC1CCC(=O)O1.CC(C)(C)CCNCc1ccccn1.CC(C)(C)CCNCc1ccncc1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CCN(Cc2ccccc2)CC1.CC(C)CN1CCN(C(C)(C)C)CC1.CC(c1ccccc1)N1CCN(C(C)(C)C)CC1.CC1(CN2CCN(C(C)(C)C)CC2)COC1.CCCN1CCN(C(C)(C)C)CC1.COC(=O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H26N2.C15H24N2.C14H29N3O.C13H26N2O.C12H26N2.2C12H20N2.C11H22N2O2.C11H24N2.C9H16O2/c1-14(15-8-6-5-7-9-15)17-10-12-18(13-11-17)16(2,3)4;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;1-12(2,3)15-7-5-14(6-8-15)9-13(4)10-16-11-13;1-11(2)10-13-6-8-14(9-7-13)12(3,4)5;1-12(2,3)6-9-14-10-11-4-7-13-8-5-11;1-12(2,3)7-9-13-10-11-6-4-5-8-14-11;1-11(2,3)13-7-5-12(6-8-13)9-10(14)15-4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7/h5-9,14H,10-13H2,1-4H3;4-8H,9-13H2,1-3H3;4-13H2,1-3H3;5-11H2,1-4H3;11H,6-10H2,1-5H3;4-5,7-8,14H,6,9-10H2,1-3H3;4-6,8,13H,7,9-10H2,1-3H3;5-9H2,1-4H3;5-10H2,1-4H3;7H,4-6H2,1-3H3
InChIKeySQFOEHDOILYYLW-UHFFFAOYSA-N
XLogP19.73
TPSA169.50 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002098.37
LogP ≤ 519.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The IUPAC name of 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate (CID 160906614) is 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate.
What is the SMILES notation for 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The canonical SMILES for 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate is CC(C)(C)CC1CCC(=O)O1.CC(C)(C)CCNCc1ccccn1.CC(C)(C)CCNCc1ccncc1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CCN(Cc2ccccc2)CC1.CC(C)CN1CCN(C(C)(C)C)CC1.CC(c1ccccc1)N1CCN(C(C)(C)C)CC1.CC1(CN2CCN(C(C)(C)C)CC2)COC1.CCCN1CCN(C(C)(C)C)CC1.COC(=O)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The InChIKey is SQFOEHDOILYYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C15H24N2.C14H29N3O.C13H26N2O.C12H26N2.2C12H20N2.C11H22N2O2.C11H24N2.C9H16O2/c1-14(15-8-6-5-7-9-15)17-10-12-18(13-11-17)16(2,3)4;1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;1-12(2,3)15-7-5-14(6-8-15)9-13(4)10-16-11-13;1-11(2)10-13-6-8-14(9-7-13)12(3,4)5;1-12(2,3)6-9-14-10-11-4-7-13-8-5-11;1-12(2,3)7-9-13-10-11-6-4-5-8-14-11;1-11(2,3)13-7-5-12(6-8-13)9-10(14)15-4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-9(2,3)6-7-4-5-8(10)11-7/h5-9,14H,10-13H2,1-4H3;4-8H,9-13H2,1-3H3;4-13H2,1-3H3;5-11H2,1-4H3;11H,6-10H2,1-5H3;4-5,7-8,14H,6,9-10H2,1-3H3;4-6,8,13H,7,9-10H2,1-3H3;5-9H2,1-4H3;5-10H2,1-4H3;7H,4-6H2,1-3H3.
What are the key properties of 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate?
1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate has a molecular weight of 2098.37 g/mol, XLogP of 19.73, 24 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-tert-butylpiperazine;1-tert-butyl-4-[(3-methyloxetan-3-yl)methyl]piperazine;1-tert-butyl-4-(2-methylpropyl)piperazine;1-tert-butyl-4-(1-phenylethyl)piperazine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;1-tert-butyl-4-propylpiperazine;5-(2,2-dimethylpropyl)oxolan-2-one;3,3-dimethyl-N-(pyridin-2-ylmethyl)butan-1-amine;3,3-dimethyl-N-(pyridin-4-ylmethyl)butan-1-amine;methyl 2-(4-tert-butylpiperazin-1-yl)acetate is sourced from PubChem (CID 160906614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).