1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C239H410N18O14 — CID 160789545

IUPAC1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC(=O)N1CCCC(OC(C)C)C1.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)C1CCOCC1.CC(C)N(C)CCc1ccccc1.CC(C)N(C)Cc1ccccc1.CC(C)N1CC(C)N(Cc2ccccc2)C(C)C1.CC(C)N1CCC(CN(C)C)CC1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCCC1.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCc2[nH]ncc2C1.CC(C)OC(C)C(C)(C)C.CC(C)OC(C)C1CCOCC1.CC(C)OC(C)Cc1ccccc1.CC(C)OC(C)c1cccnc1.CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)c1ccccc1.CC(C)O[C@@H](C)c1ccccc1.CC(C)O[C@H]1CCCC[C@@H]1c1ccccc1.CC(C)c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C16H26N2.C15H23N.C15H22O.C14H18N2.C13H19N.C12H19N.2C12H18O.C11H24N2.C11H17N.C11H16O.C10H19NO2.C10H15NO.C10H20O2.C9H15N3.C9H19N.C9H18O.C9H20O.C8H17NO.2C8H16O.C7H15N/c1-13(2)17-10-14(3)18(15(4)11-17)12-16-8-6-5-7-9-16;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)13(3)10-9-12-7-5-4-6-8-12;1-10(2)13-9-11(3)12-7-5-4-6-8-12;1-10(2)13-11(3)9-12-7-5-4-6-8-12;1-10(2)13-7-5-11(6-8-13)9-12(3)4;1-10(2)12(3)9-11-7-5-4-6-8-11;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)13-10-5-4-6-11(7-10)9(3)12;1-8(2)12-9(3)10-5-4-6-11-7-10;1-8(2)12-9(3)10-4-6-11-7-5-10;1-7(2)12-4-3-9-8(6-12)5-10-11-9;1-8(2)10-7-5-4-6-9(10)3;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8(3)9(4,5)6;1-7(2)9-5-3-4-8(10)6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-8-5-3-4-6-8;1-7(2)8-5-3-4-6-8/h5-9,13-15H,10-12H2,1-4H3;3-7,13,15H,8-12H2,1-2H3;3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3;4-12H,1-3H3;3-7,11,13H,8-10H2,1-2H3;4-8,11H,9-10H2,1-3H3;2*4-8,10-11H,9H2,1-3H3;10-11H,5-9H2,1-4H3;4-8,10H,9H2,1-3H3;4-10H,1-3H3;8,10H,4-7H2,1-3H3;4-9H,1-3H3;8-10H,4-7H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,10,11);8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;7-8,10H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;14-,15+;;;;;;;;10-;;;;;9-;;;;;;/m..1.......0....0....../s1
InChIKeySBQQXMXJJVQGRY-UPRJWKIISA-N
MW3760.02 g/mol
LogP55.39
Rot. Bonds54

About 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 160789545) has the molecular formula C239H410N18O14 and a molecular weight of 3760.02 g/mol. Its IUPAC name is 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID160789545
Molecular FormulaC239H410N18O14
Molecular Weight3760.02 g/mol
Exact Mass3757.19
IUPAC Name1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCC(=O)N1CCCC(OC(C)C)C1.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)C1CCOCC1.CC(C)N(C)CCc1ccccc1.CC(C)N(C)Cc1ccccc1.CC(C)N1CC(C)N(Cc2ccccc2)C(C)C1.CC(C)N1CCC(CN(C)C)CC1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCCC1.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCc2[nH]ncc2C1.CC(C)OC(C)C(C)(C)C.CC(C)OC(C)C1CCOCC1.CC(C)OC(C)Cc1ccccc1.CC(C)OC(C)c1cccnc1.CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)c1ccccc1.CC(C)O[C@@H](C)c1ccccc1.CC(C)O[C@H]1CCCC[C@@H]1c1ccccc1.CC(C)c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C16H26N2.C15H23N.C15H22O.C14H18N2.C13H19N.C12H19N.2C12H18O.C11H24N2.C11H17N.C11H16O.C10H19NO2.C10H15NO.C10H20O2.C9H15N3.C9H19N.C9H18O.C9H20O.C8H17NO.2C8H16O.C7H15N/c1-13(2)17-10-14(3)18(15(4)11-17)12-16-8-6-5-7-9-16;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)13(3)10-9-12-7-5-4-6-8-12;1-10(2)13-9-11(3)12-7-5-4-6-8-12;1-10(2)13-11(3)9-12-7-5-4-6-8-12;1-10(2)13-7-5-11(6-8-13)9-12(3)4;1-10(2)12(3)9-11-7-5-4-6-8-11;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)13-10-5-4-6-11(7-10)9(3)12;1-8(2)12-9(3)10-5-4-6-11-7-10;1-8(2)12-9(3)10-4-6-11-7-5-10;1-7(2)12-4-3-9-8(6-12)5-10-11-9;1-8(2)10-7-5-4-6-9(10)3;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8(3)9(4,5)6;1-7(2)9-5-3-4-8(10)6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-8-5-3-4-6-8;1-7(2)8-5-3-4-6-8/h5-9,13-15H,10-12H2,1-4H3;3-7,13,15H,8-12H2,1-2H3;3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3;4-12H,1-3H3;3-7,11,13H,8-10H2,1-2H3;4-8,11H,9-10H2,1-3H3;2*4-8,10-11H,9H2,1-3H3;10-11H,5-9H2,1-4H3;4-8,10H,9H2,1-3H3;4-10H,1-3H3;8,10H,4-7H2,1-3H3;4-9H,1-3H3;8-10H,4-7H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,10,11);8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;7-8,10H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;14-,15+;;;;;;;;10-;;;;;9-;;;;;;/m..1.......0....0....../s1
InChIKeySBQQXMXJJVQGRY-UPRJWKIISA-N
XLogP55.39
TPSA249.57 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds54
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003760.02
LogP ≤ 555.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157538703
(1S,4S)-2-benzyl-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;(1S,4S)-2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-3-phenoxypiperidine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;(2S)-2-methyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 157729164
1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone
CID 158773360
1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,3-dimethylbutan-2-ol;N-methyl-N-(2-phenylethyl)propan-2-amine;1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine
CID 160118330
4-benzyl-3,5-dimethyl-1-propan-2-ylpiperidine;(1S,4S)-2-benzyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-3-phenoxypiperidine;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;2,6-dimethyl-4-propan-2-ylmorpholine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;1-methyl-4-propan-2-yl-1,4-diazepane;1-(2-methyl-4-propan-2-ylpiperazin-1-yl)ethanone;(2S)-2-methyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpiperidine;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 160797020
2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-5-propan-2-ylpyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;[(1R)-1-propan-2-yloxyethyl]benzene;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 160950351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 160789545) is 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is CC(=O)N1CCCC(OC(C)C)C1.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)C1CCOCC1.CC(C)N(C)CCc1ccccc1.CC(C)N(C)Cc1ccccc1.CC(C)N1CC(C)N(Cc2ccccc2)C(C)C1.CC(C)N1CCC(CN(C)C)CC1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCCC1.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCc2[nH]ncc2C1.CC(C)OC(C)C(C)(C)C.CC(C)OC(C)C1CCOCC1.CC(C)OC(C)Cc1ccccc1.CC(C)OC(C)c1cccnc1.CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OCC(C)c1ccccc1.CC(C)O[C@@H](C)c1ccccc1.CC(C)O[C@H]1CCCC[C@@H]1c1ccccc1.CC(C)c1cnn(C(C)c2ccccc2)c1.
What is the InChIKey of 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is SBQQXMXJJVQGRY-UPRJWKIISA-N. The full InChI is InChI=1S/C16H26N2.C15H23N.C15H22O.C14H18N2.C13H19N.C12H19N.2C12H18O.C11H24N2.C11H17N.C11H16O.C10H19NO2.C10H15NO.C10H20O2.C9H15N3.C9H19N.C9H18O.C9H20O.C8H17NO.2C8H16O.C7H15N/c1-13(2)17-10-14(3)18(15(4)11-17)12-16-8-6-5-7-9-16;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)13(3)10-9-12-7-5-4-6-8-12;1-10(2)13-9-11(3)12-7-5-4-6-8-12;1-10(2)13-11(3)9-12-7-5-4-6-8-12;1-10(2)13-7-5-11(6-8-13)9-12(3)4;1-10(2)12(3)9-11-7-5-4-6-8-11;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)13-10-5-4-6-11(7-10)9(3)12;1-8(2)12-9(3)10-5-4-6-11-7-10;1-8(2)12-9(3)10-4-6-11-7-5-10;1-7(2)12-4-3-9-8(6-12)5-10-11-9;1-8(2)10-7-5-4-6-9(10)3;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8(3)9(4,5)6;1-7(2)9-5-3-4-8(10)6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)9-8-5-3-4-6-8;1-7(2)8-5-3-4-6-8/h5-9,13-15H,10-12H2,1-4H3;3-7,13,15H,8-12H2,1-2H3;3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3;4-12H,1-3H3;3-7,11,13H,8-10H2,1-2H3;4-8,11H,9-10H2,1-3H3;2*4-8,10-11H,9H2,1-3H3;10-11H,5-9H2,1-4H3;4-8,10H,9H2,1-3H3;4-10H,1-3H3;8,10H,4-7H2,1-3H3;4-9H,1-3H3;8-10H,4-7H2,1-3H3;5,7H,3-4,6H2,1-2H3,(H,10,11);8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,1-6H3;7-8,10H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3/t;;14-,15+;;;;;;;;10-;;;;;9-;;;;;;/m..1.......0....0....../s1.
What are the key properties of 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 3760.02 g/mol, XLogP of 55.39, 54 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,6-dimethyl-4-propan-2-ylpiperazine;N-benzyl-N-methylpropan-2-amine;1-benzyl-4-propan-2-ylpiperidine;2,2-dimethyl-3-propan-2-yloxybutane;N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine;N-methyl-N-(2-phenylethyl)propan-2-amine;(2S)-2-methyl-1-propan-2-ylpiperidine;1-(1-phenylethyl)-4-propan-2-ylpyrazole;3-phenyl-1-propan-2-ylpyrrolidine;4-propan-2-yloxane;propan-2-yloxycyclohexane;[(1R,2S)-2-propan-2-yloxycyclohexyl]benzene;propan-2-yloxycyclopentane;[(1S)-1-propan-2-yloxyethyl]benzene;4-(1-propan-2-yloxyethyl)oxane;3-(1-propan-2-yloxyethyl)pyridine;1-(3-propan-2-yloxypiperidin-1-yl)ethanone;1-propan-2-yloxypropan-2-ylbenzene;2-propan-2-yloxypropylbenzene;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 160789545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).