6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

C37H72N6 — CID 171564902

About 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane

6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 171564902) has the molecular formula C37H72N6 and a molecular weight of 601.03 g/mol. Its IUPAC name is 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 171564902
• Molecular Formula: C37H72N6
• Molecular Weight: 601.03 g/mol
• Exact Mass: 600.58
• IUPAC Name: 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
• SMILES: CCC(C)N1C2CCC1CN(CC1CCN(C(C)C)CC1)C2.CCC(C)N1CCC(CN2C3CC2CN(C(C)C)C3)CC1
• InChI: InChI=1S/C19H37N3.C18H35N3/c1-5-16(4)22-18-6-7-19(22)14-20(13-18)12-17-8-10-21(11-9-17)15(2)3;1-5-15(4)19-8-6-16(7-9-19)11-21-17-10-18(21)13-20(12-17)14(2)3/h15-19H,5-14H2,1-4H3;14-18H,5-13H2,1-4H3
• InChIKey: DPARJMAEYUCULH-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.03
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 171564902) is 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is CCC(C)N1C2CCC1CN(CC1CCN(C(C)C)CC1)C2.CCC(C)N1CCC(CN2C3CC2CN(C(C)C)C3)CC1.

What is the InChIKey of 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?

The InChIKey is DPARJMAEYUCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3.C18H35N3/c1-5-16(4)22-18-6-7-19(22)14-20(13-18)12-17-8-10-21(11-9-17)15(2)3;1-5-15(4)19-8-6-16(7-9-19)11-21-17-10-18(21)13-20(12-17)14(2)3/h15-19H,5-14H2,1-4H3;14-18H,5-13H2,1-4H3.

What are the key properties of 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane?

6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 601.03 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-butan-2-ylpiperidin-4-yl)methyl]-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-butan-2-yl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 171564902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).