tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine

C112H222N22O12 — CID 160839393

IUPACtert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine
SMILESCC(C)(C)OC(=O)N1CCN(C2CCC2)C(C)(C)C1.CC1(C)CN(C(=O)OC(C)(C)C)CCN1.CC1(C)CNCCN1C1CCC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@@H]1CNCCN1.C[C@@H]1CNCCN1C1CCC1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@H]1CNCCN1.C[C@H]1CNCCN1C1CCC1
InChIInChI=1S/C15H28N2O2.2C14H26N2O2.C11H22N2O2.2C10H20N2O2.C10H20N2.2C9H18N2.2C5H12N2/c1-14(2,3)19-13(18)16-9-10-17(12-7-6-8-12)15(4,5)11-16;2*1-11-10-15(13(17)18-14(2,3)4)8-9-16(11)12-6-5-7-12;1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13;2*1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-10(2)8-11-6-7-12(10)9-4-3-5-9;2*1-8-7-10-5-6-11(8)9-3-2-4-9;2*1-5-4-6-2-3-7-5/h12H,6-11H2,1-5H3;2*11-12H,5-10H2,1-4H3;12H,6-8H2,1-5H3;2*8,11H,5-7H2,1-4H3;9,11H,3-8H2,1-2H3;2*8-10H,2-7H2,1H3;2*5-7H,2-4H2,1H3/t;2*11-;;2*8-;;2*8-;2*5-/m.10.10.1010/s1
InChIKeySHVFMZILWXLWHH-ONDUEYQZSA-N
MW2069.15 g/mol
LogP13.89
Rot. Bonds6

About tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine

tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine (PubChem CID 160839393) has the molecular formula C112H222N22O12 and a molecular weight of 2069.15 g/mol. Its IUPAC name is tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine.

Molecular Properties

Compound Nametert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine
PubChem CID160839393
Molecular FormulaC112H222N22O12
Molecular Weight2069.15 g/mol
Exact Mass2067.74
IUPAC Nametert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine
SMILESCC(C)(C)OC(=O)N1CCN(C2CCC2)C(C)(C)C1.CC1(C)CN(C(=O)OC(C)(C)C)CCN1.CC1(C)CNCCN1C1CCC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@@H]1CNCCN1.C[C@@H]1CNCCN1C1CCC1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@H]1CNCCN1.C[C@H]1CNCCN1C1CCC1
InChIInChI=1S/C15H28N2O2.2C14H26N2O2.C11H22N2O2.2C10H20N2O2.C10H20N2.2C9H18N2.2C5H12N2/c1-14(2,3)19-13(18)16-9-10-17(12-7-6-8-12)15(4,5)11-16;2*1-11-10-15(13(17)18-14(2,3)4)8-9-16(11)12-6-5-7-12;1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13;2*1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-10(2)8-11-6-7-12(10)9-4-3-5-9;2*1-8-7-10-5-6-11(8)9-3-2-4-9;2*1-5-4-6-2-3-7-5/h12H,6-11H2,1-5H3;2*11-12H,5-10H2,1-4H3;12H,6-8H2,1-5H3;2*8,11H,5-7H2,1-4H3;9,11H,3-8H2,1-2H3;2*8-10H,2-7H2,1H3;2*5-7H,2-4H2,1H3/t;2*11-;;2*8-;;2*8-;2*5-/m.10.10.1010/s1
InChIKeySHVFMZILWXLWHH-ONDUEYQZSA-N
XLogP13.89
TPSA316.98 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds6
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.15
LogP ≤ 513.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;tert-butyl N-[(3S)-1-propan-2-ylpiperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-propan-2-ylpiperidin-3-yl]carbamate;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine
CID 157300271
tert-butyl (2R)-4-cyclobutyl-2-methylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;(3R)-1-cyclobutyl-3-methylpiperazine
CID 157733763
tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;methane;(3S)-3-methylpiperidine;(3R)-3-methylpiperidine
CID 159177087
tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperidine-1-carboxylate;(2S)-1-cyclobutyl-2-methylpiperazine;(3R)-3-methylpiperidine
CID 160639884
tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperidine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(3S)-3-methylpiperidine
CID 161537530
tert-butyl (2R)-4-cyclobutyl-2-methylpiperazine-1-carboxylate;tert-butyl 4-cyclobutylpiperazine-1-carboxylate;tert-butyl (2R)-2-methylpiperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;(3R)-1-cyclobutyl-3-methylpiperazine;1-cyclobutylpiperazine
CID 161953203

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine?
The IUPAC name of tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine (CID 160839393) is tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine.
What is the SMILES notation for tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine?
The canonical SMILES for tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine is CC(C)(C)OC(=O)N1CCN(C2CCC2)C(C)(C)C1.CC1(C)CN(C(=O)OC(C)(C)C)CCN1.CC1(C)CNCCN1C1CCC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@@H]1CNCCN1.C[C@@H]1CNCCN1C1CCC1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@H]1CNCCN1.C[C@H]1CNCCN1C1CCC1.
What is the InChIKey of tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine?
The InChIKey is SHVFMZILWXLWHH-ONDUEYQZSA-N. The full InChI is InChI=1S/C15H28N2O2.2C14H26N2O2.C11H22N2O2.2C10H20N2O2.C10H20N2.2C9H18N2.2C5H12N2/c1-14(2,3)19-13(18)16-9-10-17(12-7-6-8-12)15(4,5)11-16;2*1-11-10-15(13(17)18-14(2,3)4)8-9-16(11)12-6-5-7-12;1-10(2,3)15-9(14)13-7-6-12-11(4,5)8-13;2*1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-10(2)8-11-6-7-12(10)9-4-3-5-9;2*1-8-7-10-5-6-11(8)9-3-2-4-9;2*1-5-4-6-2-3-7-5/h12H,6-11H2,1-5H3;2*11-12H,5-10H2,1-4H3;12H,6-8H2,1-5H3;2*8,11H,5-7H2,1-4H3;9,11H,3-8H2,1-2H3;2*8-10H,2-7H2,1H3;2*5-7H,2-4H2,1H3/t;2*11-;;2*8-;;2*8-;2*5-/m.10.10.1010/s1.
What are the key properties of tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine?
tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine has a molecular weight of 2069.15 g/mol, XLogP of 13.89, 6 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclobutyl-3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3S)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-cyclobutyl-3-methylpiperazine-1-carboxylate;tert-butyl 3,3-dimethylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;1-cyclobutyl-2,2-dimethylpiperazine;(2S)-1-cyclobutyl-2-methylpiperazine;(2R)-1-cyclobutyl-2-methylpiperazine;(2S)-2-methylpiperazine;(2R)-2-methylpiperazine is sourced from PubChem (CID 160839393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).