tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate

C85H175N13O8 — CID 159100361

IUPACtert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.C11H24N2.C10H21N.C9H20N2/c1-12(2)13-11-17(15(3,4)5)9-10-18(13)14(19)20-16(6,7)8;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9-6-5-7-11(8-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11/h12-13H,9-11H2,1-8H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyKDEWJWVAYKQCSC-UHFFFAOYSA-N
MW1507.42 g/mol
LogP15.73
Rot. Bonds5

About tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate

tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 159100361) has the molecular formula C85H175N13O8 and a molecular weight of 1507.42 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID159100361
Molecular FormulaC85H175N13O8
Molecular Weight1507.42 g/mol
Exact Mass1506.37
IUPAC Nametert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.C11H24N2.C10H21N.C9H20N2/c1-12(2)13-11-17(15(3,4)5)9-10-18(13)14(19)20-16(6,7)8;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9-6-5-7-11(8-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11/h12-13H,9-11H2,1-8H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyKDEWJWVAYKQCSC-UHFFFAOYSA-N
XLogP15.73
TPSA147.32 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.42
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate (CID 159100361) is tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is KDEWJWVAYKQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.C11H24N2.C10H21N.C9H20N2/c1-12(2)13-11-17(15(3,4)5)9-10-18(13)14(19)20-16(6,7)8;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9-6-5-7-11(8-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11/h12-13H,9-11H2,1-8H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9H,5-8H2,1-4H3;5-8H2,1-4H3.
What are the key properties of tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate?
tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 1507.42 g/mol, XLogP of 15.73, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 159100361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).