1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine

C156H233ClF21N15O — CID 161193539

IUPAC1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)(C)c1cc(NCCN2CCCCC2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCCCC2)c(Cl)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)N1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CC1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)C1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H29F3N2.C18H26F4N2.2C18H27F3N2.C18H26F3N.C17H25F3N2.C16H24ClN.C16H25FN2.C16H24FNO/c1-14(2)24-10-8-23(9-11-24)13-15-6-7-16(18(3,4)5)12-17(15)19(20,21)22;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-17(2,3)14-11-15(18(19,20)21)13-16(12-14)22-7-10-23-8-5-4-6-9-23;1-13-6-5-9-22(11-13)12-14-7-8-15(17(2,3)4)10-16(14)18(19,20)21;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-16(2,3)14-8-7-13(15(17)11-14)12-18-9-5-4-6-10-18;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4/h6-7,12,14H,8-11,13H2,1-5H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;11-13,22H,4-10H2,1-3H3;7-8,10,13H,5-6,9,11-12H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;7-8,11H,4-6,9-10,12H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3
InChIKeyUUAROKGYZFSEIO-UHFFFAOYSA-N
MW2769.09 g/mol
LogP38.13
Rot. Bonds24

About 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine

1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine (PubChem CID 161193539) has the molecular formula C156H233ClF21N15O and a molecular weight of 2769.09 g/mol. Its IUPAC name is 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
PubChem CID161193539
Molecular FormulaC156H233ClF21N15O
Molecular Weight2769.09 g/mol
Exact Mass2766.80
IUPAC Name1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)(C)c1cc(NCCN2CCCCC2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCCCC2)c(Cl)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)N1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CC1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)C1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1
InChIInChI=1S/C19H29F3N2.C18H26F4N2.2C18H27F3N2.C18H26F3N.C17H25F3N2.C16H24ClN.C16H25FN2.C16H24FNO/c1-14(2)24-10-8-23(9-11-24)13-15-6-7-16(18(3,4)5)12-17(15)19(20,21)22;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-17(2,3)14-11-15(18(19,20)21)13-16(12-14)22-7-10-23-8-5-4-6-9-23;1-13-6-5-9-22(11-13)12-14-7-8-15(17(2,3)4)10-16(14)18(19,20)21;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-16(2,3)14-8-7-13(15(17)11-14)12-18-9-5-4-6-10-18;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4/h6-7,12,14H,8-11,13H2,1-5H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;11-13,22H,4-10H2,1-3H3;7-8,10,13H,5-6,9,11-12H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;7-8,11H,4-6,9-10,12H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3
InChIKeyUUAROKGYZFSEIO-UHFFFAOYSA-N
XLogP38.13
TPSA66.62 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.09
LogP ≤ 538.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine 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

4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 158167226
4-[(4-Tert-butyl-2-chlorophenyl)methyl]morpholine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 158764934
2-tert-butyl-1-chloro-4-methylbenzene;1-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-4-ethylpiperazine;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;4-[2,3-dimethyl-5-(trifluoromethyl)phenyl]morpholine;4-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-1,4-oxazepane;1-[2,3-dimethyl-5-(trifluoromethyl)phenyl]pyrrolidine;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine;1-[2-methoxy-5-methyl-3-(trifluoromethyl)phenyl]-N,N-dimethylmethanamine
CID 159780866
2-tert-butyl-1-chloro-4-methylbenzene;2,5-dimethyl-1-(4-methylpentyl)-3-(trifluoromethyl)benzene;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1-methyl-3,6-dihydro-2H-pyridine;1-[[2,5-dimethyl-3-(trifluoromethyl)phenyl]methyl]pyrrolidine;4-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-1,4-oxazepane;4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethoxy)phenyl]piperazine;2-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine
CID 160606787
4-[(4-tert-butyl-2-chlorophenyl)methyl]morpholine;1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 161830943
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;5-tert-butyl-N-ethyl-2-fluoroaniline;5-tert-butyl-N-ethyl-2-fluoro-N-methylaniline;5-tert-butyl-2-fluoro-N-methyl-N-propylaniline;(2R)-2-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpyrrolidine;3-(5-tert-butyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexane;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;4-(5-tert-butyl-2-fluorophenyl)morpholine;1-(5-tert-butyl-2-fluorophenyl)piperazine;5-tert-butyl-2-fluoro-N-propylaniline
CID 159054769
1-[(2-chloro-4-propan-2-ylphenyl)methyl]piperazine;1-[2-(cyclopropylmethyl)-4-propan-2-ylphenyl]-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-[2-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylphenyl]piperidin-4-amine;N,N-dimethyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methoxy-4-propan-2-ylphenyl)methyl]piperazine;N-methyl-2-(piperazin-1-ylmethyl)-5-propan-2-ylaniline;1-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 159425272
1-[2-chloro-4-(2,2-dimethylpropyl)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;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;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 159447008
1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;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;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 160639585
1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;4-[4-(2,2-dimethylpropyl)phenoxy]piperidine;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;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 162248004

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine (CID 161193539) is 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine is CC(C)(C)c1cc(NCCN2CCCCC2)cc(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCCCC2)c(Cl)c1.CC(C)(C)c1ccc(CN2CCN(CCF)CC2)c(C(F)(F)F)c1.CC(C)N1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CC1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)C1.CN1CCC(N(C)c2c(F)cccc2C(C)(C)C)C1.CN1CCCC1COc1cc(F)cc(C(C)(C)C)c1.CN1CCCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is UUAROKGYZFSEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N2.C18H26F4N2.2C18H27F3N2.C18H26F3N.C17H25F3N2.C16H24ClN.C16H25FN2.C16H24FNO/c1-14(2)24-10-8-23(9-11-24)13-15-6-7-16(18(3,4)5)12-17(15)19(20,21)22;1-17(2,3)15-5-4-14(16(12-15)18(20,21)22)13-24-10-8-23(7-6-19)9-11-24;1-17(2,3)15-7-6-14(16(12-15)18(19,20)21)13-23-9-5-8-22(4)10-11-23;1-17(2,3)14-11-15(18(19,20)21)13-16(12-14)22-7-10-23-8-5-4-6-9-23;1-13-6-5-9-22(11-13)12-14-7-8-15(17(2,3)4)10-16(14)18(19,20)21;1-16(2,3)14-6-5-13(15(11-14)17(18,19)20)12-22-9-7-21(4)8-10-22;1-16(2,3)14-8-7-13(15(17)11-14)12-18-9-5-4-6-10-18;1-16(2,3)13-7-6-8-14(17)15(13)19(5)12-9-10-18(4)11-12;1-16(2,3)12-8-13(17)10-15(9-12)19-11-14-6-5-7-18(14)4/h6-7,12,14H,8-11,13H2,1-5H3;4-5,12H,6-11,13H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;11-13,22H,4-10H2,1-3H3;7-8,10,13H,5-6,9,11-12H2,1-4H3;5-6,11H,7-10,12H2,1-4H3;7-8,11H,4-6,9-10,12H2,1-3H3;6-8,12H,9-11H2,1-5H3;8-10,14H,5-7,11H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine?
1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 2769.09 g/mol, XLogP of 38.13, 24 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-2-chlorophenyl)methyl]piperidine;2-[(3-tert-butyl-5-fluorophenoxy)methyl]-1-methylpyrrolidine;N-(2-tert-butyl-6-fluorophenyl)-N,1-dimethylpyrrolidin-3-amine;3-tert-butyl-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)aniline;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-(2-fluoroethyl)piperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperazine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-3-methylpiperidine;1-[[4-tert-butyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 161193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).