1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol

C211H387N29O9 — CID 159021722

IUPAC1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol
SMILESC=C1CN(C(C)C)CCN1Cc1ccccc1.CC(=O)N1CCCN(C(C)C)CC1.CC(C)N1CC2CC1CN2Cc1ccccc1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)(c2ccccc2)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC1.CC(C)N1CCCC1C.CC(C)N1CCCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C(=O)C2CCCO2)CC1.CC(C)N1CCc2ccccc2C1.CC(C)NC(=O)CN1CCN(C(C)C)CC1.CC1CCCN(C(C)C)C1.CC1CN(C(C)C)CC(C)O1.CCC1CCN(C(C)C)CC1.CCN(CC)C(=O)C1CCCN(C(C)C)C1.COc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/2C15H22N2.C14H22N2O.C14H21NO.C13H27N3.C13H26N2O.C12H25N3O.C12H22N2O2.2C12H17N.C10H20N2O.2C10H21N.C9H19NO.2C9H19N.C8H17N.C7H15NO.C7H15N/c1-12(2)17-11-14-8-15(17)10-16(14)9-13-6-4-3-5-7-13;1-13(2)16-9-10-17(14(3)11-16)12-15-7-5-4-6-8-15;1-12(2)15-8-10-16(11-9-15)13-6-4-5-7-14(13)17-3;1-12(2)15-10-8-14(16,9-11-15)13-6-4-3-5-7-13;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-5-14(6-2)13(16)12-8-7-9-15(10-12)11(3)4;1-10(2)13-12(16)9-14-5-7-15(8-6-14)11(3)4;1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-9(2)11-7-5-6-10(3,4)8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2)10-7-5-3-4-6-8-10;1-7(2)9-6-4-5-8(9)3;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8/h3-7,12,14-15H,8-11H2,1-2H3;4-8,13H,3,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3,(H,13,16);10-11H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;9H,4-8H2,1-3H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJTTZDYVAYVDDHI-UHFFFAOYSA-N
MW3474.61 g/mol
LogP35.04
Rot. Bonds35

About 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol

1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol (PubChem CID 159021722) has the molecular formula C211H387N29O9 and a molecular weight of 3474.61 g/mol. Its IUPAC name is 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol
PubChem CID159021722
Molecular FormulaC211H387N29O9
Molecular Weight3474.61 g/mol
Exact Mass3472.07
IUPAC Name1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol
SMILESC=C1CN(C(C)C)CCN1Cc1ccccc1.CC(=O)N1CCCN(C(C)C)CC1.CC(C)N1CC2CC1CN2Cc1ccccc1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)(c2ccccc2)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC1.CC(C)N1CCCC1C.CC(C)N1CCCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C(=O)C2CCCO2)CC1.CC(C)N1CCc2ccccc2C1.CC(C)NC(=O)CN1CCN(C(C)C)CC1.CC1CCCN(C(C)C)C1.CC1CN(C(C)C)CC(C)O1.CCC1CCN(C(C)C)CC1.CCN(CC)C(=O)C1CCCN(C(C)C)C1.COc1ccccc1N1CCN(C(C)C)CC1
InChIInChI=1S/2C15H22N2.C14H22N2O.C14H21NO.C13H27N3.C13H26N2O.C12H25N3O.C12H22N2O2.2C12H17N.C10H20N2O.2C10H21N.C9H19NO.2C9H19N.C8H17N.C7H15NO.C7H15N/c1-12(2)17-11-14-8-15(17)10-16(14)9-13-6-4-3-5-7-13;1-13(2)16-9-10-17(14(3)11-16)12-15-7-5-4-6-8-15;1-12(2)15-8-10-16(11-9-15)13-6-4-5-7-14(13)17-3;1-12(2)15-10-8-14(16,9-11-15)13-6-4-3-5-7-13;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-5-14(6-2)13(16)12-8-7-9-15(10-12)11(3)4;1-10(2)13-12(16)9-14-5-7-15(8-6-14)11(3)4;1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-9(2)11-7-5-6-10(3,4)8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2)10-7-5-3-4-6-8-10;1-7(2)9-6-4-5-8(9)3;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8/h3-7,12,14-15H,8-11H2,1-2H3;4-8,13H,3,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3,(H,13,16);10-11H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;9H,4-8H2,1-3H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJTTZDYVAYVDDHI-UHFFFAOYSA-N
XLogP35.04
TPSA239.18 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003474.61
LogP ≤ 535.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol (CID 159021722) is 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol is C=C1CN(C(C)C)CCN1Cc1ccccc1.CC(=O)N1CCCN(C(C)C)CC1.CC(C)N1CC2CC1CN2Cc1ccccc1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)(c2ccccc2)CC1.CC(C)N1CCC(O)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC1.CC(C)N1CCCC1C.CC(C)N1CCCCCC1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C(=O)C2CCCO2)CC1.CC(C)N1CCc2ccccc2C1.CC(C)NC(=O)CN1CCN(C(C)C)CC1.CC1CCCN(C(C)C)C1.CC1CN(C(C)C)CC(C)O1.CCC1CCN(C(C)C)CC1.CCN(CC)C(=O)C1CCCN(C(C)C)C1.COc1ccccc1N1CCN(C(C)C)CC1.
What is the InChIKey of 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is JTTZDYVAYVDDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22N2.C14H22N2O.C14H21NO.C13H27N3.C13H26N2O.C12H25N3O.C12H22N2O2.2C12H17N.C10H20N2O.2C10H21N.C9H19NO.2C9H19N.C8H17N.C7H15NO.C7H15N/c1-12(2)17-11-14-8-15(17)10-16(14)9-13-6-4-3-5-7-13;1-13(2)16-9-10-17(14(3)11-16)12-15-7-5-4-6-8-15;1-12(2)15-8-10-16(11-9-15)13-6-4-5-7-14(13)17-3;1-12(2)15-10-8-14(16,9-11-15)13-6-4-3-5-7-13;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-5-14(6-2)13(16)12-8-7-9-15(10-12)11(3)4;1-10(2)13-12(16)9-14-5-7-15(8-6-14)11(3)4;1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-9(2)11-5-4-6-12(8-7-11)10(3)13;1-9(2)11-7-5-6-10(3,4)8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-5-9(3)7-10;1-9(2)10-7-5-3-4-6-8-10;1-7(2)9-6-4-5-8(9)3;1-6(2)8-4-3-7(9)5-8;1-7(2)8-5-3-4-6-8/h3-7,12,14-15H,8-11H2,1-2H3;4-8,13H,3,9-12H2,1-2H3;4-7,12H,8-11H2,1-3H3;3-7,12,16H,8-11H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,5-10H2,1-4H3;10-11H,5-9H2,1-4H3,(H,13,16);10-11H,3-9H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;3-6,10H,7-9H2,1-2H3;9H,4-8H2,1-3H3;9H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol?
1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 3474.61 g/mol, XLogP of 35.04, 35 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylidene-4-propan-2-ylpiperazine;2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;N,N-diethyl-1-propan-2-ylpiperidine-3-carboxamide;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;1-(2-methoxyphenyl)-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-methyl-1-propan-2-ylpyrrolidine;oxolan-2-yl-(4-propan-2-ylpiperazin-1-yl)methanone;4-phenyl-1-propan-2-ylpiperidin-4-ol;1-propan-2-ylazepane;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;N-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)acetamide;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 159021722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).