tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine

C93H193N15O8 — CID 159624853

IUPACtert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)C1CN(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)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCCN(C(C)C)C1.CC1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.CCN1CCN(C(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2.2C14H28N2O2.C12H24N2O2.C11H24N2.2C9H20N2.C9H19N/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7;1-11-10-15(13(2,3)4)8-9-16(11)12(17)18-14(5,6)7;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;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(2,3)11-7-5-10(4)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-5-9(3)7-10/h11-13H,8-10H2,1-7H3;2*11H,8-10H2,1-7H3;10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyMOIXACAFINPOON-UHFFFAOYSA-N
MW1649.66 g/mol
LogP16.37
Rot. Bonds8

About tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine

tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine (PubChem CID 159624853) has the molecular formula C93H193N15O8 and a molecular weight of 1649.66 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
PubChem CID159624853
Molecular FormulaC93H193N15O8
Molecular Weight1649.66 g/mol
Exact Mass1648.52
IUPAC Nametert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)C1CN(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)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCCN(C(C)C)C1.CC1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.CCN1CCN(C(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2.2C14H28N2O2.C12H24N2O2.C11H24N2.2C9H20N2.C9H19N/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7;1-11-10-15(13(2,3)4)8-9-16(11)12(17)18-14(5,6)7;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;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(2,3)11-7-5-10(4)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-5-9(3)7-10/h11-13H,8-10H2,1-7H3;2*11H,8-10H2,1-7H3;10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeyMOIXACAFINPOON-UHFFFAOYSA-N
XLogP16.37
TPSA153.80 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.66
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine (CID 159624853) is tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine is CC(C)C1CN(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)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCCN(C(C)C)C1.CC1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.CCN1CCN(C(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
The InChIKey is MOIXACAFINPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.2C14H28N2O2.C12H24N2O2.C11H24N2.2C9H20N2.C9H19N/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(5,6)7;1-11-10-15(13(2,3)4)8-9-16(11)12(17)18-14(5,6)7;1-11(2)15-8-9-16(14(6,7)10-15)12(17)18-13(3,4)5;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(2,3)11-7-5-10(4)6-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-5-9(3)7-10/h11-13H,8-10H2,1-7H3;2*11H,8-10H2,1-7H3;10H,6-9H2,1-5H3;10H,6-9H2,1-5H3;5-8H2,1-4H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine has a molecular weight of 1649.66 g/mol, XLogP of 16.37, 8 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 159624853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).