bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine

C112H213N13O11 — CID 157193727

IUPACbis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)C.CC(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1
InChIInChI=1S/2C22H39N3O.C20H43N3O3.C19H40N2O4.C11H17NO.C10H15NO.2C4H10/c2*1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-4-9-5-6-10(11-7-9)12-8(2)3;2*1-4(2)3/h2*8-9,18H,7,10-17H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;6-8H,5H2,1-4H3;5-8H,4H2,1-3H3;2*4H,1-3H3
InChIKeyAPZPDQGGUVRHAW-UHFFFAOYSA-N
MW1918.02 g/mol
LogP20.79
Rot. Bonds44

About bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine

bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine (PubChem CID 157193727) has the molecular formula C112H213N13O11 and a molecular weight of 1918.02 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Namebis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
PubChem CID157193727
Molecular FormulaC112H213N13O11
Molecular Weight1918.02 g/mol
Exact Mass1916.65
IUPAC Namebis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)C.CC(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1
InChIInChI=1S/2C22H39N3O.C20H43N3O3.C19H40N2O4.C11H17NO.C10H15NO.2C4H10/c2*1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-4-9-5-6-10(11-7-9)12-8(2)3;2*1-4(2)3/h2*8-9,18H,7,10-17H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;6-8H,5H2,1-4H3;5-8H,4H2,1-3H3;2*4H,1-3H3
InChIKeyAPZPDQGGUVRHAW-UHFFFAOYSA-N
XLogP20.79
TPSA191.04 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds44
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001918.02
LogP ≤ 520.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
The IUPAC name of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine (CID 157193727) is bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine is CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)C.CC(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1.
What is the InChIKey of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
The InChIKey is APZPDQGGUVRHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H39N3O.C20H43N3O3.C19H40N2O4.C11H17NO.C10H15NO.2C4H10/c2*1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-4-9-5-6-10(11-7-9)12-8(2)3;2*1-4(2)3/h2*8-9,18H,7,10-17H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;6-8H,5H2,1-4H3;5-8H,4H2,1-3H3;2*4H,1-3H3.
What are the key properties of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine?
bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine has a molecular weight of 1918.02 g/mol, XLogP of 20.79, 44 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;bis(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 157193727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).