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

C71H145N11O8 — CID 158953587

IUPACtert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-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)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CC1CCCN(C(C)C)C1
InChIInChI=1S/C15H30N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.C9H19N.C8H18N2/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(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)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;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-6-4-9(3)5-7-10/h11-13H,8-10H2,1-7H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyJLSQGPLJEFKVFO-UHFFFAOYSA-N
MW1281.01 g/mol
LogP12.75
Rot. Bonds7

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

tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine (PubChem CID 158953587) has the molecular formula C71H145N11O8 and a molecular weight of 1281.01 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
PubChem CID158953587
Molecular FormulaC71H145N11O8
Molecular Weight1281.01 g/mol
Exact Mass1280.13
IUPAC Nametert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-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)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CC1CCCN(C(C)C)C1
InChIInChI=1S/C15H30N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.C9H19N.C8H18N2/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(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)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;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-6-4-9(3)5-7-10/h11-13H,8-10H2,1-7H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyJLSQGPLJEFKVFO-UHFFFAOYSA-N
XLogP12.75
TPSA140.84 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.01
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine (CID 158953587) is tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-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)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C)CC1.CC1CCCN(C(C)C)C1.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
The InChIKey is JLSQGPLJEFKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C14H28N2O2.C13H26N2O2.C12H24N2O2.C9H19N.C8H18N2/c1-11(2)13-10-16(12(3)4)8-9-17(13)14(18)19-15(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)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;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-6-4-9(3)5-7-10/h11-13H,8-10H2,1-7H3;11H,8-10H2,1-7H3;10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine?
tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine has a molecular weight of 1281.01 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 2,4-di(propan-2-yl)piperazine-1-carboxylate;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 158953587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).