tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine

C84H194N16O2 — CID 161464387

About tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine

tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine (PubChem CID 161464387) has the molecular formula C84H194N16O2 and a molecular weight of 1460.59 g/mol. Its IUPAC name is tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine
• PubChem CID: 161464387
• Molecular Formula: C84H194N16O2
• Molecular Weight: 1460.59 g/mol
• Exact Mass: 1459.56
• IUPAC Name: tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine
• SMILES: CC(C)(C)N1CCNCC1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CCN(CC)C(C)(C)C.CCNC(C)(C)C.CN(C)C(C)(C)C.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)CCCN(C)C(C)(C)C.CN(C)CCN(C)C(C)(C)C.CNC(C)(C)C
• InChI: InChI=1S/C13H26N2O2.C11H24N2.C10H24N2.C9H22N2.2C8H18N2.C8H19N.2C6H15N.C5H13N/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)12(6)9-7-8-11(4)5;1-9(2,3)11(6)8-7-10(4)5;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-6-9(7-2)8(3,4)5;1-6(2,3)7(4)5;1-5-7-6(2,3)4;1-5(2,3)6-4/h7-10H2,1-6H3;10H,6-9H2,1-5H3;7-9H2,1-6H3;7-8H2,1-6H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;6-7H2,1-5H3;1-5H3;7H,5H2,1-4H3;6H,1-4H3
• InChIKey: WCFQPLSGKJJDSU-UHFFFAOYSA-N
• XLogP: 14.30
• TPSA: 104.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.59
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine?

The IUPAC name of tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine (CID 161464387) is tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine.

What is the SMILES notation for tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine?

The canonical SMILES for tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine is CC(C)(C)N1CCNCC1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CCN(CC)C(C)(C)C.CCNC(C)(C)C.CN(C)C(C)(C)C.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)CCCN(C)C(C)(C)C.CN(C)CCN(C)C(C)(C)C.CNC(C)(C)C.

What is the InChIKey of tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine?

The InChIKey is WCFQPLSGKJJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C11H24N2.C10H24N2.C9H22N2.2C8H18N2.C8H19N.2C6H15N.C5H13N/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2,3)12(6)9-7-8-11(4)5;1-9(2,3)11(6)8-7-10(4)5;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-6-9(7-2)8(3,4)5;1-6(2,3)7(4)5;1-5-7-6(2,3)4;1-5(2,3)6-4/h7-10H2,1-6H3;10H,6-9H2,1-5H3;7-9H2,1-6H3;7-8H2,1-6H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;6-7H2,1-5H3;1-5H3;7H,5H2,1-4H3;6H,1-4H3.

What are the key properties of tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine?

tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine has a molecular weight of 1460.59 g/mol, XLogP of 14.30, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;N'-tert-butyl-N,N,N'-trimethylethane-1,2-diamine;N'-tert-butyl-N,N,N'-trimethylpropane-1,3-diamine;N,N-diethyl-2-methylpropan-2-amine;N,2-dimethylpropan-2-amine;N-ethyl-2-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 161464387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).