1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C32H43N7 — CID 158999305

About 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158999305) has the molecular formula C32H43N7 and a molecular weight of 525.75 g/mol. Its IUPAC name is 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158999305
• Molecular Formula: C32H43N7
• Molecular Weight: 525.75 g/mol
• Exact Mass: 525.36
• IUPAC Name: 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CN(c1ncnc2[nH]ccc12)C1CCN(Cc2ccccc2)CC1.CNC1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C19H23N5.C13H20N2/c1-23(19-17-7-10-20-18(17)21-14-22-19)16-8-11-24(12-9-16)13-15-5-3-2-4-6-15;1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,20,21,22);2-6,13-14H,7-11H2,1H3
• InChIKey: JRDKWTUMAYJSLZ-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 63.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.75
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 158999305) is 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CCN(Cc2ccccc2)CC1.CNC1CCN(Cc2ccccc2)CC1.

What is the InChIKey of 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is JRDKWTUMAYJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.C13H20N2/c1-23(19-17-7-10-20-18(17)21-14-22-19)16-8-11-24(12-9-16)13-15-5-3-2-4-6-15;1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-7,10,14,16H,8-9,11-13H2,1H3,(H,20,21,22);2-6,13-14H,7-11H2,1H3.

What are the key properties of 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 525.75 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158999305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).