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

C94H186N14O10 — CID 159177087

IUPACtert-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
SMILESC.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]1CCCN(C(=O)OC(C)(C)C)C1.C[C@@H]1CCCNC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@@H]1CNCCN1C1CCC1.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CCCNC1
InChIInChI=1S/C15H28N2O2.C14H26N2O2.C11H22N2O2.2C11H21NO2.C10H20N2.C9H18N2.2C6H13N.CH4/c1-14(2,3)19-13(18)16-9-10-17(12-7-6-8-12)15(4,5)11-16;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*1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-10(2)8-11-6-7-12(10)9-4-3-5-9;1-8-7-10-5-6-11(8)9-3-2-4-9;2*1-6-3-2-4-7-5-6;/h12H,6-11H2,1-5H3;11-12H,5-10H2,1-4H3;12H,6-8H2,1-5H3;2*9H,5-8H2,1-4H3;9,11H,3-8H2,1-2H3;8-10H,2-7H2,1H3;2*6-7H,2-5H2,1H3;1H4/t;11-;;2*9-;;8-;2*6-;/m.1.10.110./s1
InChIKeyKMKMQLKGGWAKBU-WHYCIFJFSA-N
MW1672.61 g/mol
LogP16.97
Rot. Bonds4

About 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

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 (PubChem CID 159177087) has the molecular formula C94H186N14O10 and a molecular weight of 1672.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID159177087
Molecular FormulaC94H186N14O10
Molecular Weight1672.61 g/mol
Exact Mass1671.45
IUPAC Nametert-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
SMILESC.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]1CCCN(C(=O)OC(C)(C)C)C1.C[C@@H]1CCCNC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@@H]1CNCCN1C1CCC1.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CCCNC1
InChIInChI=1S/C15H28N2O2.C14H26N2O2.C11H22N2O2.2C11H21NO2.C10H20N2.C9H18N2.2C6H13N.CH4/c1-14(2,3)19-13(18)16-9-10-17(12-7-6-8-12)15(4,5)11-16;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*1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-10(2)8-11-6-7-12(10)9-4-3-5-9;1-8-7-10-5-6-11(8)9-3-2-4-9;2*1-6-3-2-4-7-5-6;/h12H,6-11H2,1-5H3;11-12H,5-10H2,1-4H3;12H,6-8H2,1-5H3;2*9H,5-8H2,1-4H3;9,11H,3-8H2,1-2H3;8-10H,2-7H2,1H3;2*6-7H,2-5H2,1H3;1H4/t;11-;;2*9-;;8-;2*6-;/m.1.10.110./s1
InChIKeyKMKMQLKGGWAKBU-WHYCIFJFSA-N
XLogP16.97
TPSA220.81 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds4
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.61
LogP ≤ 516.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

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 (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 with MolForge

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

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
bis(tert-butyl (3R,5S)-3,5-dimethylpiperidine-1-carboxylate);tert-butyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;(3R,5S)-3,5-dimethylpiperidine;(2R,6S)-2,6-dimethyl-1-propan-2-ylpiperazine
CID 158040858
Tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine
CID 158214541
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
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;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;1-ethyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine
CID 158962299
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
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 159317189
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
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;tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1-propan-2-ylpiperidine
CID 160244231
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 (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
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;3,5-dimethyl-1-propan-2-ylpiperazine;1,3-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;4-propan-2-ylpiperazin-2-one
CID 160968562

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.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]1CCCN(C(=O)OC(C)(C)C)C1.C[C@@H]1CCCNC1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC1.C[C@@H]1CNCCN1C1CCC1.C[C@H]1CCCN(C(=O)OC(C)(C)C)C1.C[C@H]1CCCNC1.
What is the InChIKey of 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?
The InChIKey is KMKMQLKGGWAKBU-WHYCIFJFSA-N. The full InChI is InChI=1S/C15H28N2O2.C14H26N2O2.C11H22N2O2.2C11H21NO2.C10H20N2.C9H18N2.2C6H13N.CH4/c1-14(2,3)19-13(18)16-9-10-17(12-7-6-8-12)15(4,5)11-16;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*1-9-6-5-7-12(8-9)10(13)14-11(2,3)4;1-10(2)8-11-6-7-12(10)9-4-3-5-9;1-8-7-10-5-6-11(8)9-3-2-4-9;2*1-6-3-2-4-7-5-6;/h12H,6-11H2,1-5H3;11-12H,5-10H2,1-4H3;12H,6-8H2,1-5H3;2*9H,5-8H2,1-4H3;9,11H,3-8H2,1-2H3;8-10H,2-7H2,1H3;2*6-7H,2-5H2,1H3;1H4/t;11-;;2*9-;;8-;2*6-;/m.1.10.110./s1.
What are the key properties of 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?
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 has a molecular weight of 1672.61 g/mol, XLogP of 16.97, 4 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159177087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).