1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine

C77H153N15O3 — CID 158975590

About 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine

1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine (PubChem CID 158975590) has the molecular formula C77H153N15O3 and a molecular weight of 1337.17 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine
• PubChem CID: 158975590
• Molecular Formula: C77H153N15O3
• Molecular Weight: 1337.17 g/mol
• Exact Mass: 1336.23
• IUPAC Name: 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine
• SMILES: CC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(N2CCN(C3CC3)CC2)CC1.CC(C)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCCN(C(=O)OC2CCN(C(C)(C)C)CC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1
• InChI: InChI=1S/C16H31N3O2.C16H31N3.C16H33N3.C15H29N3O.C14H29N3/c1-16(2,3)19-10-6-14(7-11-19)21-15(20)18-9-5-8-17(4)12-13-18;1-16(2,3)19-8-6-15(7-9-19)18-12-10-17(11-13-18)14-4-5-14;1-14(2)17-10-12-18(13-11-17)15-6-8-19(9-7-15)16(3,4)5;1-13(19)16-9-11-17(12-10-16)14-5-7-18(8-6-14)15(2,3)4;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16/h14H,5-13H2,1-4H3;14-15H,4-13H2,1-3H3;14-15H,6-13H2,1-5H3;14H,5-12H2,1-4H3;13H,5-12H2,1-4H3
• InChIKey: JOIUWQYFHFGRAN-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 91.97 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1337.17
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine?

The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine (CID 158975590) is 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine.

What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine?

The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine is CC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(N2CCN(C3CC3)CC2)CC1.CC(C)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCCN(C(=O)OC2CCN(C(C)(C)C)CC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.

What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine?

The InChIKey is JOIUWQYFHFGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.C16H31N3.C16H33N3.C15H29N3O.C14H29N3/c1-16(2,3)19-10-6-14(7-11-19)21-15(20)18-9-5-8-17(4)12-13-18;1-16(2,3)19-8-6-15(7-9-19)18-12-10-17(11-13-18)14-4-5-14;1-14(2)17-10-12-18(13-11-17)15-6-8-19(9-7-15)16(3,4)5;1-13(19)16-9-11-17(12-10-16)14-5-7-18(8-6-14)15(2,3)4;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16/h14H,5-13H2,1-4H3;14-15H,4-13H2,1-3H3;14-15H,6-13H2,1-5H3;14H,5-12H2,1-4H3;13H,5-12H2,1-4H3.

What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine?

1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine has a molecular weight of 1337.17 g/mol, XLogP of 9.24, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 158975590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).