1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine

C153H242FN21O — CID 157169898

IUPAC1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)Nc1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(-n2cc(C(C)C)nn2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)nn1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)nc1.CC(C)c1cnc(N2CCC(C(C)C)CC2)nc1.CC(C)c1cnc(N2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C17H27N.C16H26N2.3C15H25N3.C14H24N4.C14H19N3.C12H18FN.C12H18O.C12H18.C11H17N/c1-13(2)15-5-7-17(8-6-15)18-11-9-16(10-12-18)14(3)4;1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-11(2)13-5-7-18(8-6-13)15-16-9-14(10-17-15)12(3)4;1-12(2)14-5-6-15(16-11-14)18-9-7-17(8-10-18)13(3)4;1-11(2)13-7-9-18(10-8-13)15-6-5-14(12(3)4)16-17-15;1-11(2)13-9-15-14(16-10-13)18-7-5-17(6-8-18)12(3)4;1-10(2)12-5-7-13(8-6-12)17-9-14(11(3)4)15-16-17;1-8(2)10-5-6-12(11(13)7-10)14-9(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-8,13-14,16H,9-12H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;9-13H,5-8H2,1-4H3;2*5-6,11-13H,7-10H2,1-4H3;9-12H,5-8H2,1-4H3;5-11H,1-4H3;5-9,14H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-9H,1-4H3
InChIKeyANINZUSNPKCRGV-UHFFFAOYSA-N
MW2410.76 g/mol
LogP37.98
Rot. Bonds31

About 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine

1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 157169898) has the molecular formula C153H242FN21O and a molecular weight of 2410.76 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
PubChem CID157169898
Molecular FormulaC153H242FN21O
Molecular Weight2410.76 g/mol
Exact Mass2408.95
IUPAC Name1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)Nc1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(-n2cc(C(C)C)nn2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)nn1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)nc1.CC(C)c1cnc(N2CCC(C(C)C)CC2)nc1.CC(C)c1cnc(N2CCN(C(C)C)CC2)nc1
InChIInChI=1S/C17H27N.C16H26N2.3C15H25N3.C14H24N4.C14H19N3.C12H18FN.C12H18O.C12H18.C11H17N/c1-13(2)15-5-7-17(8-6-15)18-11-9-16(10-12-18)14(3)4;1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-11(2)13-5-7-18(8-6-13)15-16-9-14(10-17-15)12(3)4;1-12(2)14-5-6-15(16-11-14)18-9-7-17(8-10-18)13(3)4;1-11(2)13-7-9-18(10-8-13)15-6-5-14(12(3)4)16-17-15;1-11(2)13-9-15-14(16-10-13)18-7-5-17(6-8-18)12(3)4;1-10(2)12-5-7-13(8-6-12)17-9-14(11(3)4)15-16-17;1-8(2)10-5-6-12(11(13)7-10)14-9(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-8,13-14,16H,9-12H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;9-13H,5-8H2,1-4H3;2*5-6,11-13H,7-10H2,1-4H3;9-12H,5-8H2,1-4H3;5-11H,1-4H3;5-9,14H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-9H,1-4H3
InChIKeyANINZUSNPKCRGV-UHFFFAOYSA-N
XLogP37.98
TPSA184.25 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.76
LogP ≤ 537.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine (CID 157169898) is 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine is CC(C)Nc1ccc(C(C)C)cc1F.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(-n2cc(C(C)C)nn2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCC(C(C)C)CC2)nn1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)nc1.CC(C)c1cnc(N2CCC(C(C)C)CC2)nc1.CC(C)c1cnc(N2CCN(C(C)C)CC2)nc1.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is ANINZUSNPKCRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.C16H26N2.3C15H25N3.C14H24N4.C14H19N3.C12H18FN.C12H18O.C12H18.C11H17N/c1-13(2)15-5-7-17(8-6-15)18-11-9-16(10-12-18)14(3)4;1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-11(2)13-5-7-18(8-6-13)15-16-9-14(10-17-15)12(3)4;1-12(2)14-5-6-15(16-11-14)18-9-7-17(8-10-18)13(3)4;1-11(2)13-7-9-18(10-8-13)15-6-5-14(12(3)4)16-17-15;1-11(2)13-9-15-14(16-10-13)18-7-5-17(6-8-18)12(3)4;1-10(2)12-5-7-13(8-6-12)17-9-14(11(3)4)15-16-17;1-8(2)10-5-6-12(11(13)7-10)14-9(3)4;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10/h5-8,13-14,16H,9-12H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;9-13H,5-8H2,1-4H3;2*5-6,11-13H,7-10H2,1-4H3;9-12H,5-8H2,1-4H3;5-11H,1-4H3;5-9,14H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-9H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 2410.76 g/mol, XLogP of 37.98, 31 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 157169898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).