1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

C120H175F7N11O4P — CID 158450268

IUPAC1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(Cn2ccnc2)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2=O)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C19H30N2.C18H27F3N2.C18H31N2OP.C16H22F3NO.C14H17FN2.C14H20N2O/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-14(2,3)12-6-11(7-13(15)8-12)9-17-5-4-16-10-17;1-14(2,3)11-4-6-12(7-5-11)16-9-8-15-10-13(16)17/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;8-10,16H,6-7,11-12H2,1-5H3;6-9H,10-15H2,1-5H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,15H,8-10H2,1-3H3/t;;16-;;14-;;/m..1.1../s1
InChIKeyHDWVYTJIOFHAFW-WYOLSHKBSA-N
MW1999.75 g/mol
LogP26.33
Rot. Bonds19

About 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 158450268) has the molecular formula C120H175F7N11O4P and a molecular weight of 1999.75 g/mol. Its IUPAC name is 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID158450268
Molecular FormulaC120H175F7N11O4P
Molecular Weight1999.75 g/mol
Exact Mass1998.35
IUPAC Name1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(Cn2ccnc2)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2=O)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C21H28O.C19H30N2.C18H27F3N2.C18H31N2OP.C16H22F3NO.C14H17FN2.C14H20N2O/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-14(2,3)12-6-11(7-13(15)8-12)9-17-5-4-16-10-17;1-14(2,3)11-4-6-12(7-5-11)16-9-8-15-10-13(16)17/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;8-10,16H,6-7,11-12H2,1-5H3;6-9H,10-15H2,1-5H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,15H,8-10H2,1-3H3/t;;16-;;14-;;/m..1.1../s1
InChIKeyHDWVYTJIOFHAFW-WYOLSHKBSA-N
XLogP26.33
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.75
LogP ≤ 526.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (CID 158450268) is 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is CC(C)(C)c1cc(CN2CC[C@@H](O)C2)cc(C(F)(F)F)c1.CC(C)(C)c1cc(F)cc(Cn2ccnc2)c1.CC(C)(C)c1ccc(N2CCN(CCP(C)(C)=O)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2=O)cc1.CN(C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(C(F)(F)F)c2)C1.CN1CCN(Cc2cc(C3CC3)cc(C(C)(C)C)c2)CC1.Cc1ccc(OCc2cccc(C(C)(C)C)c2)c(C(C)C)c1.
What is the InChIKey of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is HDWVYTJIOFHAFW-WYOLSHKBSA-N. The full InChI is InChI=1S/C21H28O.C19H30N2.C18H27F3N2.C18H31N2OP.C16H22F3NO.C14H17FN2.C14H20N2O/c1-15(2)19-12-16(3)10-11-20(19)22-14-17-8-7-9-18(13-17)21(4,5)6;1-19(2,3)18-12-15(11-17(13-18)16-5-6-16)14-21-9-7-20(4)8-10-21;1-17(2,3)14-8-13(9-15(10-14)18(19,20)21)11-23-7-6-16(12-23)22(4)5;1-18(2,3)16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-22(4,5)21;1-15(2,3)12-6-11(7-13(8-12)16(17,18)19)9-20-5-4-14(21)10-20;1-14(2,3)12-6-11(7-13(15)8-12)9-17-5-4-16-10-17;1-14(2,3)11-4-6-12(7-5-11)16-9-8-15-10-13(16)17/h7-13,15H,14H2,1-6H3;11-13,16H,5-10,14H2,1-4H3;8-10,16H,6-7,11-12H2,1-5H3;6-9H,10-15H2,1-5H3;6-8,14,21H,4-5,9-10H2,1-3H3;4-8,10H,9H2,1-3H3;4-7,15H,8-10H2,1-3H3/t;;16-;;14-;;/m..1.1../s1.
What are the key properties of 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 1999.75 g/mol, XLogP of 26.33, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-5-cyclopropylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butyl-5-fluorophenyl)methyl]imidazole;1-(4-tert-butylphenyl)-4-(2-dimethylphosphorylethyl)piperazine;1-[(3-tert-butylphenyl)methoxy]-4-methyl-2-propan-2-ylbenzene;1-(4-tert-butylphenyl)piperazin-2-one;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine;(3R)-1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 158450268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).