4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine

C167H293F3N16O13 — CID 159137173

IUPAC4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.CC(=O)OC1CCN(C(C)C)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(Nc2ccccc2)CC1.CC(C)N1CCC(OC(=O)C(C)(C)C)CC1.CC(C)N1CCC(Oc2ccccc2)CC1.CC(C)OC1CCN(C(C)C)CC1.CCCCOC1CCN(C(C)C)CC1.CCOC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.COC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.COCC1CCN(C(C)C)CC1
InChIInChI=1S/C17H25NO2.C16H23NO2.C16H23NO.C14H22N2.C14H21NO.C13H26N2.C13H25NO2.C12H24N2.C12H25NO.C11H23NO.C10H19NO2.C10H21NO.C9H16F3N/c1-4-20-16(19)17(15-8-6-5-7-9-15)10-12-18(13-11-17)14(2)3;1-13(2)17-11-9-16(10-12-17,15(18)19-3)14-7-5-4-6-8-14;1-13(2)17-11-9-16(10-12-17,14(3)18)15-7-5-4-6-8-15;1-12(2)16-10-8-14(9-11-16)15-13-6-4-3-5-7-13;1-12(2)15-10-8-14(9-11-15)16-13-6-4-3-5-7-13;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-10(2)14-8-6-11(7-9-14)16-12(15)13(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-4-5-10-14-12-6-8-13(9-7-12)11(2)3;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-8(2)11-6-4-10(5-7-11)13-9(3)12;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)13-5-3-8(4-6-13)9(10,11)12/h5-9,14H,4,10-13H2,1-3H3;4-8,13H,9-12H2,1-3H3;4-8,13H,9-12H2,1-3H3;3-7,12,14-15H,8-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyKHQGKGBUXGPPBJ-UHFFFAOYSA-N
MW2790.27 g/mol
LogP32.07
Rot. Bonds36

About 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine

4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 159137173) has the molecular formula C167H293F3N16O13 and a molecular weight of 2790.27 g/mol. Its IUPAC name is 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID159137173
Molecular FormulaC167H293F3N16O13
Molecular Weight2790.27 g/mol
Exact Mass2788.27
IUPAC Name4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.CC(=O)OC1CCN(C(C)C)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(Nc2ccccc2)CC1.CC(C)N1CCC(OC(=O)C(C)(C)C)CC1.CC(C)N1CCC(Oc2ccccc2)CC1.CC(C)OC1CCN(C(C)C)CC1.CCCCOC1CCN(C(C)C)CC1.CCOC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.COC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.COCC1CCN(C(C)C)CC1
InChIInChI=1S/C17H25NO2.C16H23NO2.C16H23NO.C14H22N2.C14H21NO.C13H26N2.C13H25NO2.C12H24N2.C12H25NO.C11H23NO.C10H19NO2.C10H21NO.C9H16F3N/c1-4-20-16(19)17(15-8-6-5-7-9-15)10-12-18(13-11-17)14(2)3;1-13(2)17-11-9-16(10-12-17,15(18)19-3)14-7-5-4-6-8-14;1-13(2)17-11-9-16(10-12-17,14(3)18)15-7-5-4-6-8-15;1-12(2)16-10-8-14(9-11-16)15-13-6-4-3-5-7-13;1-12(2)15-10-8-14(9-11-15)16-13-6-4-3-5-7-13;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-10(2)14-8-6-11(7-9-14)16-12(15)13(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-4-5-10-14-12-6-8-13(9-7-12)11(2)3;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-8(2)11-6-4-10(5-7-11)13-9(3)12;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)13-5-3-8(4-6-13)9(10,11)12/h5-9,14H,4,10-13H2,1-3H3;4-8,13H,9-12H2,1-3H3;4-8,13H,9-12H2,1-3H3;3-7,12,14-15H,8-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyKHQGKGBUXGPPBJ-UHFFFAOYSA-N
XLogP32.07
TPSA219.82 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.27
LogP ≤ 532.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-anilino-2-phenylacetate;2,2,2-trifluoroacetate
CID 46840841
[(3R)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-3-phenylpropanoate;2,2,2-trifluoroacetate
CID 46841098
[1-(3-Phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate;2,2,2-trifluoroacetate
CID 67425589
[1-(2-Phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate;2,2,2-trifluoroacetate
CID 67426303
[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate;2,2,2-trifluoroacetate
CID 68468248
[(3R)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate;2,2,2-trifluoroacetate
CID 68468438
4-butoxy-1-propan-2-ylpiperidine;4-[(4-chlorophenyl)methyl]-1-propan-2-ylpiperidine;4-ethoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-fluoro-1-propan-2-ylpiperidine;4-(methoxymethyl)-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;N-methyl-N-phenyl-1-propan-2-ylpiperidin-4-amine;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 157132669
4-butoxy-1-propan-2-ylpiperidine;4-[(4-chlorophenyl)methyl]-1-propan-2-ylpiperidine;4-ethoxy-1-propan-2-ylpiperidine;4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;4-(methoxymethyl)-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;N-methyl-N-phenyl-1-propan-2-ylpiperidin-4-amine;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 158678089
ethyl 1-[2-[1-[(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate;ethyl 1-[2-[1-[(3R,4R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate;oxan-4-one
CID 158691273
2-(4-tert-butylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)ethanamine;2-(4-cyclohexylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]ethanamine;1-(2,3-dimethyl-3a,7a-dihydro-1H-indol-6-yl)-3-[(1S,2R)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]propan-2-one;2-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-phenylethyl)ethanamine;molecular hydrogen
CID 159511060
N-[3-[(2S,4R)-1-acetyl-4-[4-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-4-[4-(3-methoxy-2-oxopropyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-methylprop-2-enyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]cyclopropanecarboxamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-[2-(oxolan-3-yl)ethyl]anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 160872251
[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-anilino-2-phenylacetate;2,2,2-trifluoroacetate
CID 46840972

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine (CID 159137173) is 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine is CC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.CC(=O)OC1CCN(C(C)C)CC1.CC(C)N1CCC(C(F)(F)F)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(Nc2ccccc2)CC1.CC(C)N1CCC(OC(=O)C(C)(C)C)CC1.CC(C)N1CCC(Oc2ccccc2)CC1.CC(C)OC1CCN(C(C)C)CC1.CCCCOC1CCN(C(C)C)CC1.CCOC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.COC(=O)C1(c2ccccc2)CCN(C(C)C)CC1.COCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is KHQGKGBUXGPPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.C16H23NO2.C16H23NO.C14H22N2.C14H21NO.C13H26N2.C13H25NO2.C12H24N2.C12H25NO.C11H23NO.C10H19NO2.C10H21NO.C9H16F3N/c1-4-20-16(19)17(15-8-6-5-7-9-15)10-12-18(13-11-17)14(2)3;1-13(2)17-11-9-16(10-12-17,15(18)19-3)14-7-5-4-6-8-14;1-13(2)17-11-9-16(10-12-17,14(3)18)15-7-5-4-6-8-15;1-12(2)16-10-8-14(9-11-16)15-13-6-4-3-5-7-13;1-12(2)15-10-8-14(9-11-15)16-13-6-4-3-5-7-13;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-10(2)14-8-6-11(7-9-14)16-12(15)13(3,4)5;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-4-5-10-14-12-6-8-13(9-7-12)11(2)3;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-8(2)11-6-4-10(5-7-11)13-9(3)12;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)13-5-3-8(4-6-13)9(10,11)12/h5-9,14H,4,10-13H2,1-3H3;4-8,13H,9-12H2,1-3H3;4-8,13H,9-12H2,1-3H3;3-7,12,14-15H,8-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;11-12H,4-10H2,1-3H3;9-11H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine?
4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 2790.27 g/mol, XLogP of 32.07, 36 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-propan-2-ylpiperidine;ethyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-(methoxymethyl)-1-propan-2-ylpiperidine;methyl 4-phenyl-1-propan-2-ylpiperidine-4-carboxylate;4-phenoxy-1-propan-2-ylpiperidine;N-phenyl-1-propan-2-ylpiperidin-4-amine;1-(4-phenyl-1-propan-2-ylpiperidin-4-yl)ethanone;4-piperidin-1-yl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl) acetate;(1-propan-2-ylpiperidin-4-yl) 2,2-dimethylpropanoate;1-propan-2-yl-4-propan-2-yloxypiperidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 159137173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).