1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

C128H273N19O9 — CID 159081182

IUPAC1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(=O)N1CCC(NC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCOCC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/3C11H24N2O.C11H22N2O.2C11H24N2.2C11H23NO.C10H22N2.C10H21NO2.C10H21NO.C10H21N/c3*1-11(2,3)14-10-9-13-7-5-12(4)6-8-13;1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;2*1-11(2,3)5-6-13-9-7-12(4)8-10-13;2*1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)12-9-8-11-6-4-5-7-11;1-10(2,3)11-9-7-5-4-6-8-9/h3*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*5-10H2,1-4H3;2*10H,5-9H2,1-4H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3
InChIKeyKAWJBMXNIXIRFF-UHFFFAOYSA-N
MW2222.72 g/mol
LogP19.37
Rot. Bonds26

About 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (PubChem CID 159081182) has the molecular formula C128H273N19O9 and a molecular weight of 2222.72 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
PubChem CID159081182
Molecular FormulaC128H273N19O9
Molecular Weight2222.72 g/mol
Exact Mass2221.15
IUPAC Name1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(=O)N1CCC(NC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCOCC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/3C11H24N2O.C11H22N2O.2C11H24N2.2C11H23NO.C10H22N2.C10H21NO2.C10H21NO.C10H21N/c3*1-11(2,3)14-10-9-13-7-5-12(4)6-8-13;1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;2*1-11(2,3)5-6-13-9-7-12(4)8-10-13;2*1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)12-9-8-11-6-4-5-7-11;1-10(2,3)11-9-7-5-4-6-8-9/h3*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*5-10H2,1-4H3;2*10H,5-9H2,1-4H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3
InChIKeyKAWJBMXNIXIRFF-UHFFFAOYSA-N
XLogP19.37
TPSA178.84 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.72
LogP ≤ 519.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (CID 159081182) is 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is CC(=O)N1CCC(NC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCCN1CCCC1.CC(C)(C)OCCN1CCOCC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The InChIKey is KAWJBMXNIXIRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H24N2O.C11H22N2O.2C11H24N2.2C11H23NO.C10H22N2.C10H21NO2.C10H21NO.C10H21N/c3*1-11(2,3)14-10-9-13-7-5-12(4)6-8-13;1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;2*1-11(2,3)5-6-13-9-7-12(4)8-10-13;2*1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)12-9-8-11-6-4-5-7-11;1-10(2,3)11-9-7-5-4-6-8-9/h3*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*5-10H2,1-4H3;2*10H,5-9H2,1-4H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3.
What are the key properties of 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine has a molecular weight of 2222.72 g/mol, XLogP of 19.37, 26 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine);4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 159081182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).