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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone

C157H338N20O13 — CID 161303746

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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone
SMILESC.C.C.C.C.CC(=O)N1CCC(COC(C)(C)C)CC1.CC(=O)N1CCC(NC(C)(C)C)CC1.CC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCC1CCCCC1.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
InChIInChI=1S/C12H24N2O2.C12H23NO2.2C11H24N2O.C11H22N2O.2C11H24N2.2C11H23NO.C11H22O.C10H22N2.C10H21NO2.C10H21NO.C10H21N.5CH4/c1-11(15)14-7-5-13(6-8-14)9-10-16-12(2,3)4;1-10(14)13-7-5-11(6-8-13)9-15-12(2,3)4;2*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;1-11(2,3)12-9-10-7-5-4-6-8-10;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;;;;;/h5-10H2,1-4H3;11H,5-9H2,1-4H3;2*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*5-10H2,1-4H3;2*10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3;5*1H4
InChIKeyVHYRDLYGPTZLKZ-UHFFFAOYSA-N
MW2714.56 g/mol
LogP27.90
Rot. Bonds30

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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone

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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone (PubChem CID 161303746) has the molecular formula C157H338N20O13 and a molecular weight of 2714.56 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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone.

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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone
PubChem CID161303746
Molecular FormulaC157H338N20O13
Molecular Weight2714.56 g/mol
Exact Mass2712.64
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone
SMILESC.C.C.C.C.CC(=O)N1CCC(COC(C)(C)C)CC1.CC(=O)N1CCC(NC(C)(C)C)CC1.CC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCC1CCCCC1.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
InChIInChI=1S/C12H24N2O2.C12H23NO2.2C11H24N2O.C11H22N2O.2C11H24N2.2C11H23NO.C11H22O.C10H22N2.C10H21NO2.C10H21NO.C10H21N.5CH4/c1-11(15)14-7-5-13(6-8-14)9-10-16-12(2,3)4;1-10(14)13-7-5-11(6-8-13)9-15-12(2,3)4;2*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;1-11(2,3)12-9-10-7-5-4-6-8-10;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;;;;;/h5-10H2,1-4H3;11H,5-9H2,1-4H3;2*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*5-10H2,1-4H3;2*10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3;5*1H4
InChIKeyVHYRDLYGPTZLKZ-UHFFFAOYSA-N
XLogP27.90
TPSA234.68 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002714.56
LogP ≤ 527.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-1-methylpiperidin-4-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine;bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone
CID 157256577
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;bis(N-tert-butyl-1-methylpiperidin-4-amine);N-tert-butyloxan-4-amine;N-(cyclohexylmethyl)-2-methylpropan-2-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-(2-piperidin-1-ylethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 157709592
bis(N-tert-butyl-1-methylpiperidin-4-amine);N-tert-butyloxan-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);methane;2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;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 157726835
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;bis(N-tert-butyl-1-methylpiperidin-4-amine);N-(cyclohexylmethyl)-2-methylpropan-2-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-(2-piperidin-1-ylethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 157773986
N-tert-butylcyclohexanamine;bis(N-tert-butyl-1-methylpiperidin-4-amine);bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone
CID 157841206
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);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 157909415
N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 158596499
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
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;bis(N-tert-butyl-1-methylpiperidin-4-amine);N-(cyclohexylmethyl)-2-methylpropan-2-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;tris(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);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 159533034
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);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone
CID 159609006
N-tert-butylcyclohexanamine;bis(N-tert-butyl-1-methylpiperidin-4-amine);N-(cyclohexylmethyl)-2-methylpropan-2-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;N-(2-piperidin-1-ylethyl)propan-2-amine
CID 161405066
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]oxyethyl]piperazine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
CID 161731642

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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone?
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone (CID 161303746) 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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone.
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone?
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone is C.C.C.C.C.CC(=O)N1CCC(COC(C)(C)C)CC1.CC(=O)N1CCC(NC(C)(C)C)CC1.CC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCC1CCCCC1.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.
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is VHYRDLYGPTZLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C12H23NO2.2C11H24N2O.C11H22N2O.2C11H24N2.2C11H23NO.C11H22O.C10H22N2.C10H21NO2.C10H21NO.C10H21N.5CH4/c1-11(15)14-7-5-13(6-8-14)9-10-16-12(2,3)4;1-10(14)13-7-5-11(6-8-13)9-15-12(2,3)4;2*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;1-11(2,3)12-9-10-7-5-4-6-8-10;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;;;;;/h5-10H2,1-4H3;11H,5-9H2,1-4H3;2*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*5-10H2,1-4H3;2*10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3;5*1H4.
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone?
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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 2714.56 g/mol, XLogP of 27.90, 30 rotatable bonds, 3 hydrogen bond donors, and 30 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);methane;bis(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-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 161303746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).