3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine

C125H180ClF5N10O3 — CID 160749022

IUPAC3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
SMILESCC(C)(C)c1ccc(Cl)cc1-c1n[nH]c2ccccc12.CCCN(C)Cc1cc(F)ccc1C(C)(C)C.CN1CCC(Oc2ccc(F)cc2C(C)(C)C)CC1.CN1CCC(c2ccc(C(F)(F)F)cc2C(C)(C)C)CC1.Cc1cc(C(C)(C)C)ccc1OCCCN(C)C.Cc1ccc(C(C)(C)C)c(-n2ccnc2)c1.Cc1ccc(C(C)(C)C)c(C2CC(O)CN2)c1.Cc1ccc(C(C)(C)C)c(C2CCCN2)c1
InChIInChI=1S/C17H17ClN2.C17H24F3N.C16H24FNO.C16H27NO.C15H24FN.C15H23NO.C15H23N.C14H18N2/c1-17(2,3)14-9-8-11(18)10-13(14)16-12-6-4-5-7-15(12)19-20-16;1-16(2,3)15-11-13(17(18,19)20)5-6-14(15)12-7-9-21(4)10-8-12;1-16(2,3)14-11-12(17)5-6-15(14)19-13-7-9-18(4)10-8-13;1-13-12-14(16(2,3)4)8-9-15(13)18-11-7-10-17(5)6;1-6-9-17(5)11-12-10-13(16)7-8-14(12)15(2,3)4;1-10-5-6-13(15(2,3)4)12(7-10)14-8-11(17)9-16-14;1-11-7-8-13(15(2,3)4)12(10-11)14-6-5-9-16-14;1-11-5-6-12(14(2,3)4)13(9-11)16-8-7-15-10-16/h4-10H,1-3H3,(H,19,20);5-6,11-12H,7-10H2,1-4H3;5-6,11,13H,7-10H2,1-4H3;8-9,12H,7,10-11H2,1-6H3;7-8,10H,6,9,11H2,1-5H3;5-7,11,14,16-17H,8-9H2,1-4H3;7-8,10,14,16H,5-6,9H2,1-4H3;5-10H,1-4H3
InChIKeyRWOKXRHXOSHEGN-UHFFFAOYSA-N
MW2001.32 g/mol
LogP31.06
Rot. Bonds16

About 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine

3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine (PubChem CID 160749022) has the molecular formula C125H180ClF5N10O3 and a molecular weight of 2001.32 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
PubChem CID160749022
Molecular FormulaC125H180ClF5N10O3
Molecular Weight2001.32 g/mol
Exact Mass1999.38
IUPAC Name3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
SMILESCC(C)(C)c1ccc(Cl)cc1-c1n[nH]c2ccccc12.CCCN(C)Cc1cc(F)ccc1C(C)(C)C.CN1CCC(Oc2ccc(F)cc2C(C)(C)C)CC1.CN1CCC(c2ccc(C(F)(F)F)cc2C(C)(C)C)CC1.Cc1cc(C(C)(C)C)ccc1OCCCN(C)C.Cc1ccc(C(C)(C)C)c(-n2ccnc2)c1.Cc1ccc(C(C)(C)C)c(C2CC(O)CN2)c1.Cc1ccc(C(C)(C)C)c(C2CCCN2)c1
InChIInChI=1S/C17H17ClN2.C17H24F3N.C16H24FNO.C16H27NO.C15H24FN.C15H23NO.C15H23N.C14H18N2/c1-17(2,3)14-9-8-11(18)10-13(14)16-12-6-4-5-7-15(12)19-20-16;1-16(2,3)15-11-13(17(18,19)20)5-6-14(15)12-7-9-21(4)10-8-12;1-16(2,3)14-11-12(17)5-6-15(14)19-13-7-9-18(4)10-8-13;1-13-12-14(16(2,3)4)8-9-15(13)18-11-7-10-17(5)6;1-6-9-17(5)11-12-10-13(16)7-8-14(12)15(2,3)4;1-10-5-6-13(15(2,3)4)12(7-10)14-8-11(17)9-16-14;1-11-7-8-13(15(2,3)4)12(10-11)14-6-5-9-16-14;1-11-5-6-12(14(2,3)4)13(9-11)16-8-7-15-10-16/h4-10H,1-3H3,(H,19,20);5-6,11-12H,7-10H2,1-4H3;5-6,11,13H,7-10H2,1-4H3;8-9,12H,7,10-11H2,1-6H3;7-8,10H,6,9,11H2,1-5H3;5-7,11,14,16-17H,8-9H2,1-4H3;7-8,10,14,16H,5-6,9H2,1-4H3;5-10H,1-4H3
InChIKeyRWOKXRHXOSHEGN-UHFFFAOYSA-N
XLogP31.06
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002001.32
LogP ≤ 531.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine with MolForge

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Related Compounds

3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;1-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[(4-tert-butylphenoxy)methyl]-1-methylpiperidine;1-[(3-tert-butylphenyl)methyl]-3-methylidenepiperidine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(2-tert-butylphenyl)methyl]morpholine;3-[4-(2-tert-butylphenyl)piperazin-1-yl]propan-1-ol;1-(3-tert-butyl-2-pyridinyl)-1,4-diazepane;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
CID 157768799
3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;1-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[(4-tert-butylphenoxy)methyl]-1-methylpiperidine;1-[(3-tert-butylphenyl)methyl]-3-methylidenepiperidine;3-[4-(2-tert-butylphenyl)piperazin-1-yl]propan-1-ol;1-(3-tert-butyl-2-pyridinyl)-1,4-diazepane;1-[2-tert-butyl-4-(trifluoromethyl)phenyl]imidazole;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
CID 160307874
(4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 158299598
4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)imidazo[1,2-a]pyridine
CID 158712340
4-tert-butyl-5-chloro-1H-indazole;1-tert-butyl-2-fluorobenzene;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-1-fluoro-3-methoxybenzene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-benzimidazole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butyl-5-methyl-1H-indole;7-tert-butyl-6-methyl-1H-indole;4-tert-butylnaphthalen-2-ol
CID 160593872
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol;1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(triazol-1-yl)propan-2-ol
CID 160663749
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-chloro-3-(difluoromethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;3-tert-butyl-4-methylphenol;prop-1-ene
CID 167579743

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine?
The IUPAC name of 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine (CID 160749022) is 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine.
What is the SMILES notation for 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine?
The canonical SMILES for 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine is CC(C)(C)c1ccc(Cl)cc1-c1n[nH]c2ccccc12.CCCN(C)Cc1cc(F)ccc1C(C)(C)C.CN1CCC(Oc2ccc(F)cc2C(C)(C)C)CC1.CN1CCC(c2ccc(C(F)(F)F)cc2C(C)(C)C)CC1.Cc1cc(C(C)(C)C)ccc1OCCCN(C)C.Cc1ccc(C(C)(C)C)c(-n2ccnc2)c1.Cc1ccc(C(C)(C)C)c(C2CC(O)CN2)c1.Cc1ccc(C(C)(C)C)c(C2CCCN2)c1.
What is the InChIKey of 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine?
The InChIKey is RWOKXRHXOSHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2.C17H24F3N.C16H24FNO.C16H27NO.C15H24FN.C15H23NO.C15H23N.C14H18N2/c1-17(2,3)14-9-8-11(18)10-13(14)16-12-6-4-5-7-15(12)19-20-16;1-16(2,3)15-11-13(17(18,19)20)5-6-14(15)12-7-9-21(4)10-8-12;1-16(2,3)14-11-12(17)5-6-15(14)19-13-7-9-18(4)10-8-13;1-13-12-14(16(2,3)4)8-9-15(13)18-11-7-10-17(5)6;1-6-9-17(5)11-12-10-13(16)7-8-14(12)15(2,3)4;1-10-5-6-13(15(2,3)4)12(7-10)14-8-11(17)9-16-14;1-11-7-8-13(15(2,3)4)12(10-11)14-6-5-9-16-14;1-11-5-6-12(14(2,3)4)13(9-11)16-8-7-15-10-16/h4-10H,1-3H3,(H,19,20);5-6,11-12H,7-10H2,1-4H3;5-6,11,13H,7-10H2,1-4H3;8-9,12H,7,10-11H2,1-6H3;7-8,10H,6,9,11H2,1-5H3;5-7,11,14,16-17H,8-9H2,1-4H3;7-8,10,14,16H,5-6,9H2,1-4H3;5-10H,1-4H3.
What are the key properties of 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine?
3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine has a molecular weight of 2001.32 g/mol, XLogP of 31.06, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;1-(2-tert-butyl-5-methylphenyl)imidazole;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;5-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine is sourced from PubChem (CID 160749022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).