1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine

C117H241N23O7 — CID 159031508

IUPAC1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(N2CC[C@@H](O)C2)CC1.CC(C)(C)N1CCC(N2CC[C@H](O)C2)CC1.CC(C)(C)N1CCC[C@H](O)C1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CC[C@@H](N2CCNCC2)C1.CC(C)(C)N1CC[C@@H](N2CCOCC2)C1.CN(C)CCN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1.[C-]#[N+]CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O.2C13H26N2O.C12H25N3.C12H27N3.C12H24N2O.C11H21N3.C11H24N2O.C10H20N2O.C9H19NO/c1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;2*1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;1-12(2,3)15-7-4-11(10-15)14-8-5-13-6-9-14;1-12(2,3)15-10-8-14(9-11-15)7-6-13(4)5;1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13;1-11(2,3)14-9-7-13(8-10-14)6-5-12-4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)10-6-4-5-8(11)7-10/h4-13H2,1-3H3;2*11-12,16H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;6-11H2,1-5H3;11H,4-10H2,1-3H3;5-10H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;8,11H,4-7H2,1-3H3/t;2*12-;11-;;11-;;;;8-/m.101.1...0/s1
InChIKeyJUYFXMBHDSVGLJ-HRDXFFSCSA-N
MW2082.37 g/mol
LogP10.85
Rot. Bonds15

About 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine

1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine (PubChem CID 159031508) has the molecular formula C117H241N23O7 and a molecular weight of 2082.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine
PubChem CID159031508
Molecular FormulaC117H241N23O7
Molecular Weight2082.37 g/mol
Exact Mass2080.92
IUPAC Name1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(N2CC[C@@H](O)C2)CC1.CC(C)(C)N1CCC(N2CC[C@H](O)C2)CC1.CC(C)(C)N1CCC[C@H](O)C1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CC[C@@H](N2CCNCC2)C1.CC(C)(C)N1CC[C@@H](N2CCOCC2)C1.CN(C)CCN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1.[C-]#[N+]CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3O.2C13H26N2O.C12H25N3.C12H27N3.C12H24N2O.C11H21N3.C11H24N2O.C10H20N2O.C9H19NO/c1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;2*1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;1-12(2,3)15-7-4-11(10-15)14-8-5-13-6-9-14;1-12(2,3)15-10-8-14(9-11-15)7-6-13(4)5;1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13;1-11(2,3)14-9-7-13(8-10-14)6-5-12-4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)10-6-4-5-8(11)7-10/h4-13H2,1-3H3;2*11-12,16H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;6-11H2,1-5H3;11H,4-10H2,1-3H3;5-10H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;8,11H,4-7H2,1-3H3/t;2*12-;11-;;11-;;;;8-/m.101.1...0/s1
InChIKeyJUYFXMBHDSVGLJ-HRDXFFSCSA-N
XLogP10.85
TPSA189.88 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002082.37
LogP ≤ 510.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine (CID 159031508) is 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(N2CC[C@@H](O)C2)CC1.CC(C)(C)N1CCC(N2CC[C@H](O)C2)CC1.CC(C)(C)N1CCC[C@H](O)C1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CC[C@@H](N2CCNCC2)C1.CC(C)(C)N1CC[C@@H](N2CCOCC2)C1.CN(C)CCN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1.[C-]#[N+]CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine?
The InChIKey is JUYFXMBHDSVGLJ-HRDXFFSCSA-N. The full InChI is InChI=1S/C14H29N3O.2C13H26N2O.C12H25N3.C12H27N3.C12H24N2O.C11H21N3.C11H24N2O.C10H20N2O.C9H19NO/c1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;2*1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;1-12(2,3)15-7-4-11(10-15)14-8-5-13-6-9-14;1-12(2,3)15-10-8-14(9-11-15)7-6-13(4)5;1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13;1-11(2,3)14-9-7-13(8-10-14)6-5-12-4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)10-6-4-5-8(11)7-10/h4-13H2,1-3H3;2*11-12,16H,4-10H2,1-3H3;11,13H,4-10H2,1-3H3;6-11H2,1-5H3;11H,4-10H2,1-3H3;5-10H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;8,11H,4-7H2,1-3H3/t;2*12-;11-;;11-;;;;8-/m.101.1...0/s1.
What are the key properties of 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine?
1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine has a molecular weight of 2082.37 g/mol, XLogP of 10.85, 15 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-isocyanoethyl)piperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;1-(4-tert-butylpiperazin-1-yl)ethanone;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;(3S)-1-tert-butylpiperidin-3-ol;(3R)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;(3S)-1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;4-[(3R)-1-tert-butylpyrrolidin-3-yl]morpholine;1-[(3R)-1-tert-butylpyrrolidin-3-yl]piperazine is sourced from PubChem (CID 159031508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).