(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

C127H175F3N12O3S — CID 159900371

IUPAC(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
SMILESCC(C)(C)c1ccc(-c2ccc(N)nc2)cc1.CC(C)(C)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C2CCCNC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1.CC(C)(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccn1.Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H27N3O.C17H25N.C16H22F3N.C16H19N.C15H18N2.C15H23NO2S.C15H23N.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;1-17(2,3)14-6-4-12(5-7-14)13-10-15-8-9-16(11-13)18-15;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;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;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;4-7,13,15-16,18H,8-11H2,1-3H3;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;6-9,13,16H,4-5,10-11H2,1-3H3;5-10H,1-4H3/t;13?,15-,16+;;;;;;
InChIKeyNVWLTVQHQCJGBN-OXXTUFAESA-N
MW2006.94 g/mol
LogP28.66
Rot. Bonds12

About (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

(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 (PubChem CID 159900371) has the molecular formula C127H175F3N12O3S and a molecular weight of 2006.94 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159900371
Molecular FormulaC127H175F3N12O3S
Molecular Weight2006.94 g/mol
Exact Mass2005.36
IUPAC Name(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
SMILESCC(C)(C)c1ccc(-c2ccc(N)nc2)cc1.CC(C)(C)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C2CCCNC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1.CC(C)(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccn1.Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H27N3O.C17H25N.C16H22F3N.C16H19N.C15H18N2.C15H23NO2S.C15H23N.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;1-17(2,3)14-6-4-12(5-7-14)13-10-15-8-9-16(11-13)18-15;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;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;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;4-7,13,15-16,18H,8-11H2,1-3H3;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;6-9,13,16H,4-5,10-11H2,1-3H3;5-10H,1-4H3/t;13?,15-,16+;;;;;;
InChIKeyNVWLTVQHQCJGBN-OXXTUFAESA-N
XLogP28.66
TPSA173.38 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.94
LogP ≤ 528.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze (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 with MolForge

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Related Compounds

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
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;(3S)-N,N-dimethyl-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-amine;(3S,4S)-4-methoxy-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide;5-(1-methylpyrazol-4-yl)-3-[6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 161499133
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1,1-dioxothian-4-yl)pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]oxypyrazin-2-amine;5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(trifluoromethyl)pyrazol-4-yl]oxypyrazin-2-amine
CID 167663620
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)c1ccc(-c2ccc(N)nc2)cc1.CC(C)(C)c1ccc(-c2cnn(CCN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C2CCCNC2)cc1.CC(C)(C)c1ccc(C2CCNCC2)c(C(F)(F)F)c1.CC(C)(C)c1ccc(C2C[C@H]3CC[C@@H](C2)N3)cc1.CC(C)(C)c1ccc(CN2CCS(=O)(=O)CC2)cc1.Cc1cc(-c2ccc(C(C)(C)C)cc2)ccn1.Cn1cc(-c2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of (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?
The InChIKey is NVWLTVQHQCJGBN-OXXTUFAESA-N. The full InChI is InChI=1S/C19H27N3O.C17H25N.C16H22F3N.C16H19N.C15H18N2.C15H23NO2S.C15H23N.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;1-17(2,3)14-6-4-12(5-7-14)13-10-15-8-9-16(11-13)18-15;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;1-15(2,3)14-8-6-12(7-9-14)13-5-4-10-16-11-13;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;4-7,13,15-16,18H,8-11H2,1-3H3;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;6-9,13,16H,4-5,10-11H2,1-3H3;5-10H,1-4H3/t;13?,15-,16+;;;;;;.
What are the key properties of (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?
(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 has a molecular weight of 2006.94 g/mol, XLogP of 28.66, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159900371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).