1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol

C104H222N14O7 — CID 161402283

IUPAC1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)C(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)[C@@H](O)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)[C@@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)[C@H](O)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2.3C15H32N2O.C15H32N2.2C14H30N2O/c1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;3*1-14(2,3)13(18)7-8-16-9-11-17(12-10-16)15(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;2*1-13(2,3)12(17)11-15-7-9-16(10-8-15)14(4,5)6/h7-14H2,1-6H3;3*13,18H,7-12H2,1-6H3;7-13H2,1-6H3;2*12,17H,7-11H2,1-6H3/t;2*13-;;;12-;/m.10..0./s1
InChIKeyVUJSZPXIJPJOKW-OOBOVENDSA-N
MW1781.01 g/mol
LogP15.68
Rot. Bonds22

About 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol

1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol (PubChem CID 161402283) has the molecular formula C104H222N14O7 and a molecular weight of 1781.01 g/mol. Its IUPAC name is 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
PubChem CID161402283
Molecular FormulaC104H222N14O7
Molecular Weight1781.01 g/mol
Exact Mass1779.74
IUPAC Name1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)C(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)[C@@H](O)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)[C@@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)[C@H](O)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2.3C15H32N2O.C15H32N2.2C14H30N2O/c1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;3*1-14(2,3)13(18)7-8-16-9-11-17(12-10-16)15(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;2*1-13(2,3)12(17)11-15-7-9-16(10-8-15)14(4,5)6/h7-14H2,1-6H3;3*13,18H,7-12H2,1-6H3;7-13H2,1-6H3;2*12,17H,7-11H2,1-6H3/t;2*13-;;;12-;/m.10..0./s1
InChIKeyVUJSZPXIJPJOKW-OOBOVENDSA-N
XLogP15.68
TPSA164.97 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001781.01
LogP ≤ 515.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol (CID 161402283) is 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)C(O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)[C@@H](O)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)[C@@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)[C@H](O)CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is VUJSZPXIJPJOKW-OOBOVENDSA-N. The full InChI is InChI=1S/C16H34N2O2.3C15H32N2O.C15H32N2.2C14H30N2O/c1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;3*1-14(2,3)13(18)7-8-16-9-11-17(12-10-16)15(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;2*1-13(2,3)12(17)11-15-7-9-16(10-8-15)14(4,5)6/h7-14H2,1-6H3;3*13,18H,7-12H2,1-6H3;7-13H2,1-6H3;2*12,17H,7-11H2,1-6H3/t;2*13-;;;12-;/m.10..0./s1.
What are the key properties of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol?
1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 1781.01 g/mol, XLogP of 15.68, 22 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol;1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3R)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol;(3S)-1-(4-tert-butylpiperazin-1-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 161402283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).