1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine

C160H251F3N14O3 — CID 161498900

IUPAC1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)Cc1ccc(C2CCCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNCC2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CC(C)(C)Cc1ccc(OC2CCNC2)cc1.CN1CCC(Nc2ccc(CC(C)(C)C)cc2)CC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1
InChIInChI=1S/C17H28N2.C17H27NO.C16H23F3N2.2C16H26N2.C16H25NO.2C16H25N.C15H23NO.C15H23N/c1-17(2,3)13-14-5-7-15(8-6-14)18-16-9-11-19(4)12-10-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-15(2,3)11-12-4-5-14(13(10-12)16(17,18)19)21-8-6-20-7-9-21;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-5-7-14(8-6-13)18-15-9-10-17(4)12-15;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)10-12-4-6-13(7-5-12)17-14-8-9-16-11-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14/h5-8,16,18H,9-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;4-5,10,20H,6-9,11H2,1-3H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;5-8,15H,9-12H2,1-4H3;4-7,15,17H,8-12H2,1-3H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3
InChIKeyWGORNKWLQRNSGJ-UHFFFAOYSA-N
MW2475.86 g/mol
LogP34.88
Rot. Bonds25

About 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine

1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine (PubChem CID 161498900) has the molecular formula C160H251F3N14O3 and a molecular weight of 2475.86 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
PubChem CID161498900
Molecular FormulaC160H251F3N14O3
Molecular Weight2475.86 g/mol
Exact Mass2473.99
IUPAC Name1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
SMILESCC(C)(C)Cc1ccc(C2CCCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNCC2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CC(C)(C)Cc1ccc(OC2CCNC2)cc1.CN1CCC(Nc2ccc(CC(C)(C)C)cc2)CC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1
InChIInChI=1S/C17H28N2.C17H27NO.C16H23F3N2.2C16H26N2.C16H25NO.2C16H25N.C15H23NO.C15H23N/c1-17(2,3)13-14-5-7-15(8-6-14)18-16-9-11-19(4)12-10-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-15(2,3)11-12-4-5-14(13(10-12)16(17,18)19)21-8-6-20-7-9-21;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-5-7-14(8-6-13)18-15-9-10-17(4)12-15;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)10-12-4-6-13(7-5-12)17-14-8-9-16-11-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14/h5-8,16,18H,9-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;4-5,10,20H,6-9,11H2,1-3H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;5-8,15H,9-12H2,1-4H3;4-7,15,17H,8-12H2,1-3H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3
InChIKeyWGORNKWLQRNSGJ-UHFFFAOYSA-N
XLogP34.88
TPSA152.16 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002475.86
LogP ≤ 534.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine with MolForge

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Related Compounds

N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine
CID 157073609
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine;methane
CID 157125331
N,N-diethyl-2-methyl-4-(trifluoromethyl)aniline;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 157544711
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-butoxy-2-methyl-4-(trifluoromethyl)benzene;N,N-diethyl-2-methyl-4-(trifluoromethyl)aniline;N,N-diethyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;N-(2-methoxyethyl)-N,2-dimethyl-4-(trifluoromethyl)aniline;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 157593794
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
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 157994661
3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;4-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrrolidin-3-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine
CID 158690947
N,N-diethyl-2-methyl-4-(trifluoromethyl)aniline;N-methyl-2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;2-methyl-1-[2-methyl-4-(trifluoromethyl)phenoxy]propan-2-amine;2-[2-methyl-4-(trifluoromethyl)phenoxy]ethanamine;1-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine;2-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;bis(4-[2-methyl-4-(trifluoromethyl)phenoxy]piperidine);1-[2-methyl-4-(trifluoromethyl)phenyl]piperazine;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 158854964
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
(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-methylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-(oxan-4-yl)pyrrolidine;4-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpiperidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)-1-propan-2-ylpyrrolidine;(3S)-3-(2-tert-butyl-5-fluorophenoxy)pyrrolidine;(3R)-3-(2-tert-butyl-5-fluorophenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;3-[(2-tert-butylphenoxy)methyl]-1-propan-2-ylpyrrolidine;1-(2-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine;(3R)-3-(5-fluoro-2-propan-2-ylphenoxy)-1-(oxetan-3-yl)pyrrolidine
CID 159365436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine (CID 161498900) is 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine is CC(C)(C)Cc1ccc(C2CCCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CCNCC2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CC(C)(C)Cc1ccc(OC2CCNC2)cc1.CN1CCC(Nc2ccc(CC(C)(C)C)cc2)CC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)C1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1.
What is the InChIKey of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is WGORNKWLQRNSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C17H27NO.C16H23F3N2.2C16H26N2.C16H25NO.2C16H25N.C15H23NO.C15H23N/c1-17(2,3)13-14-5-7-15(8-6-14)18-16-9-11-19(4)12-10-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-15(2,3)11-12-4-5-14(13(10-12)16(17,18)19)21-8-6-20-7-9-21;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-16(2,3)11-13-5-7-14(8-6-13)18-15-9-10-17(4)12-15;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)10-12-4-6-13(7-5-12)17-14-8-9-16-11-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14/h5-8,16,18H,9-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;4-5,10,20H,6-9,11H2,1-3H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;5-8,15H,9-12H2,1-4H3;4-7,15,17H,8-12H2,1-3H3;6-9,15,17H,4-5,10-12H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine?
1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 2475.86 g/mol, XLogP of 34.88, 25 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;3-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine;3-[4-(2,2-dimethylpropyl)phenoxy]pyrrolidine;N-[4-(2,2-dimethylpropyl)phenyl]-1-methylpiperidin-4-amine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]piperidine;4-[4-(2,2-dimethylpropyl)phenyl]piperidine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)-2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 161498900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).