1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine

C148H227F3N10O8S2 — CID 159692755

IUPAC1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H26F3N.C17H26N2O.C17H27NO2S.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C14H21NO/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h4-6,12,14H,7-11,13H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyMWPVIYXESSORBR-UHFFFAOYSA-N
MW2395.63 g/mol
LogP31.08
Rot. Bonds23

About 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine

1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 159692755) has the molecular formula C148H227F3N10O8S2 and a molecular weight of 2395.63 g/mol. Its IUPAC name is 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID159692755
Molecular FormulaC148H227F3N10O8S2
Molecular Weight2395.63 g/mol
Exact Mass2393.71
IUPAC Name1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H26F3N.C17H26N2O.C17H27NO2S.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C14H21NO/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h4-6,12,14H,7-11,13H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3
InChIKeyMWPVIYXESSORBR-UHFFFAOYSA-N
XLogP31.08
TPSA178.70 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.63
LogP ≤ 531.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 157265020
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157306343
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpiperidin-4-amine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157578193
1-tert-butyl-4-(3-methoxypropoxy)benzene;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-[(4-tert-butylphenyl)methyl]morpholine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 157627718
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;bis(N-(4-tert-butylphenyl)piperidin-4-amine);N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 158323563
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine
CID 158642185
3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(4-tert-butylphenyl)-N-methyloxolan-3-amine;1-[(4-tert-butylphenyl)methyl]piperazine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 159120647
3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;1-[(4-tert-butylphenyl)methyl]piperazine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)-1-methylsulfonylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine;N-(4-tert-butylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 159167099
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpiperidin-4-amine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)-1-methylpiperidin-4-amine;N-(4-tert-butylphenyl)piperidin-4-amine
CID 159400809
CID 159859707
CID 159859707
4-[2-(3-tert-butylphenoxy)ethyl]morpholine;3-(3-tert-butylphenoxy)-1-methylpyrrolidine;3-(3-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(3-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(3-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-(3-tert-butylphenyl)-N,1-dimethylpyrrolidin-3-amine;N-(4-tert-butylphenyl)piperidin-4-amine
CID 160176983
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine;N-(4-tert-butylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 160585698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine (CID 159692755) is 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine is CC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MWPVIYXESSORBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N.C17H26N2O.C17H27NO2S.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C14H21NO/c1-17(2,3)16-6-4-5-15(12-16)11-14-7-9-22(10-8-14)13-18(19,20)21;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(11-9-14)21(4,19)20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h4-6,12,14H,7-11,13H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,9,13,15H,7-8,10H2,1-3H3.
What are the key properties of 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine?
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 2395.63 g/mol, XLogP of 31.08, 23 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 159692755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).