1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine

C198H339FN28O5S — CID 159218568

About 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine

1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine (PubChem CID 159218568) has the molecular formula C198H339FN28O5S and a molecular weight of 3243.15 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine
• PubChem CID: 159218568
• Molecular Formula: C198H339FN28O5S
• Molecular Weight: 3243.15 g/mol
• Exact Mass: 3240.68
• IUPAC Name: 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine
• SMILES: C=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)C1OCCO1.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CCN(CC)C(C)(C)C.CN(C)C(C)(C)C.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)cn1
• InChI: InChI=1S/C12H25N.C11H22N2.C11H24N2.5C10H15N.C9H12FN.C9H14N2O.C9H14N2.C9H19NOS.2C9H13N.3C8H12N2.C8H13N.C8H19N.C7H11NO.C7H14O2.C6H15N/c1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;2*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)10-5-7-12(4,11)8-6-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)7(4)5/h10-11H,6-9H2,1-5H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;5*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-8H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;4-7H,1-3H3;6-7H2,1-5H3;4-5H,1-3H3;6H,4-5H2,1-3H3;1-5H3
• InChIKey: KRJVURFOSPNHOB-UHFFFAOYSA-N
• XLogP: 46.34
• TPSA: 333.66 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 6
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3243.15
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

The IUPAC name of 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine (CID 159218568) is 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine.

What is the SMILES notation for 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

The canonical SMILES for 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine is C=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)C1OCCO1.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CCN(CC)C(C)(C)C.CN(C)C(C)(C)C.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)cn1.

What is the InChIKey of 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

The InChIKey is KRJVURFOSPNHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C11H22N2.C11H24N2.5C10H15N.C9H12FN.C9H14N2O.C9H14N2.C9H19NOS.2C9H13N.3C8H12N2.C8H13N.C8H19N.C7H11NO.C7H14O2.C6H15N/c1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-10(2)12-6-8-13(9-7-12)11(3,4)5;2*1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)10-5-7-12(4,11)8-6-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-6-9(7-2)8(3,4)5;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)7(4)5/h10-11H,6-9H2,1-5H3;10H,4-9H2,1-3H3;10H,6-9H2,1-5H3;5*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;4-8H2,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;4-7H,1-3H3;6-7H2,1-5H3;4-5H,1-3H3;6H,4-5H2,1-3H3;1-5H3.

What are the key properties of 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine has a molecular weight of 3243.15 g/mol, XLogP of 46.34, 6 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-cyclopropylpiperazine;2-tert-butyl-1,3-dioxolane;2-tert-butyl-3-fluoropyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-6-methylpyridine);bis(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidine;2-tert-butyl-1,3-oxazole;1-tert-butyl-4-propan-2-ylpiperazine;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;N,N-diethyl-2-methylpropan-2-amine;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 159218568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).