4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine

C112H151F6N11O3S — CID 158992022

IUPAC4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)(C)c1ccc(-c2ccc(N)nc2)cc1.CC(C)(C)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1.CN1CCC(c2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccn1.Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H27N3O.C17H24F3N.C16H22F3N.C16H19N.C15H18N2.C15H23NO2S.C14H18N2/c1-19(2,3)18-6-4-16(5-7-18)17-14-20-22(15-17)9-8-21-10-12-23-13-11-21;1-16(2,3)13-5-6-14(15(11-13)17(18,19)20)12-7-9-21(4)10-8-12;1-15(2,3)12-4-5-13(11-6-8-20-9-7-11)14(10-12)16(17,18)19;1-12-11-14(9-10-17-12)13-5-7-15(8-6-13)16(2,3)4;1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)17-10-12;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-19(17,18)11-9-16;1-14(2,3)13-7-5-11(6-8-13)12-9-15-16(4)10-12/h4-7,14-15H,8-13H2,1-3H3;5-6,11-12H,7-10H2,1-4H3;4-5,10-11,20H,6-9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3,(H2,16,17);4-7H,8-12H2,1-3H3;5-10H,1-4H3
InChIKeyJQGWRUBTADNBKB-UHFFFAOYSA-N
MW1845.57 g/mol
LogP26.04
Rot. Bonds11

About 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine

4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 158992022) has the molecular formula C112H151F6N11O3S and a molecular weight of 1845.57 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
PubChem CID158992022
Molecular FormulaC112H151F6N11O3S
Molecular Weight1845.57 g/mol
Exact Mass1844.16
IUPAC Name4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)(C)c1ccc(-c2ccc(N)nc2)cc1.CC(C)(C)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1.CN1CCC(c2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccn1.Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H27N3O.C17H24F3N.C16H22F3N.C16H19N.C15H18N2.C15H23NO2S.C14H18N2/c1-19(2,3)18-6-4-16(5-7-18)17-14-20-22(15-17)9-8-21-10-12-23-13-11-21;1-16(2,3)13-5-6-14(15(11-13)17(18,19)20)12-7-9-21(4)10-8-12;1-15(2,3)12-4-5-13(11-6-8-20-9-7-11)14(10-12)16(17,18)19;1-12-11-14(9-10-17-12)13-5-7-15(8-6-13)16(2,3)4;1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)17-10-12;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-19(17,18)11-9-16;1-14(2,3)13-7-5-11(6-8-13)12-9-15-16(4)10-12/h4-7,14-15H,8-13H2,1-3H3;5-6,11-12H,7-10H2,1-4H3;4-5,10-11,20H,6-9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3,(H2,16,17);4-7H,8-12H2,1-3H3;5-10H,1-4H3
InChIKeyJQGWRUBTADNBKB-UHFFFAOYSA-N
XLogP26.04
TPSA152.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.57
LogP ≤ 526.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine with MolForge

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Related Compounds

(1S,5R)-3-(4-tert-butylphenyl)-8-azabicyclo[3.2.1]octane;4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;3-(4-tert-butylphenyl)piperidine;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 159900371
5-tert-butyl-2-[(3-methoxyazetidin-1-yl)methyl]pyridine;5-tert-butyl-2-(2-methoxyethyl)-1,3-dihydroisoindole;5-tert-butyl-2-methyl-1,3-dihydroisoindole;4-tert-butyl-N-methyl-N-propylpyridin-2-amine;4-[1-(5-tert-butyl-2-pyridinyl)ethyl]morpholine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine;1-[(5-tert-butyl-2-pyridinyl)methyl]-3-methylidenepiperazine;N-[(5-tert-butyl-2-pyridinyl)methyl]-2-methylsulfonylethanamine
CID 157134298
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine
CID 160426875
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine
CID 160792075
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine;6-(2-methyl-4-pyridinyl)-N-[(4-pyridazin-4-ylphenyl)methyl]-2,7-naphthyridin-1-amine
CID 161387050

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine (CID 158992022) is 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine is CC(C)(C)c1ccc(-c2ccc(N)nc2)cc1.CC(C)(C)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1.CN1CCC(c2ccc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccn1.Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is JQGWRUBTADNBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.C17H24F3N.C16H22F3N.C16H19N.C15H18N2.C15H23NO2S.C14H18N2/c1-19(2,3)18-6-4-16(5-7-18)17-14-20-22(15-17)9-8-21-10-12-23-13-11-21;1-16(2,3)13-5-6-14(15(11-13)17(18,19)20)12-7-9-21(4)10-8-12;1-15(2,3)12-4-5-13(11-6-8-20-9-7-11)14(10-12)16(17,18)19;1-12-11-14(9-10-17-12)13-5-7-15(8-6-13)16(2,3)4;1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)17-10-12;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-19(17,18)11-9-16;1-14(2,3)13-7-5-11(6-8-13)12-9-15-16(4)10-12/h4-7,14-15H,8-13H2,1-3H3;5-6,11-12H,7-10H2,1-4H3;4-5,10-11,20H,6-9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3,(H2,16,17);4-7H,8-12H2,1-3H3;5-10H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 1845.57 g/mol, XLogP of 26.04, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-2-methylpyridine;4-[(4-tert-butylphenyl)methyl]-1,4-thiazinane 1,1-dioxide;4-[2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethyl]morpholine;5-(4-tert-butylphenyl)pyridin-2-amine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]-1-methylpiperidine;4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 158992022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).