N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine

C₂₀H₂₉N₃ — CID 142905256

About N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine

N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine (PubChem CID 142905256) has the molecular formula C₂₀H₂₉N₃ and a molecular weight of 311.47 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine.

Molecular Properties

• Compound Name: N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine
• PubChem CID: 142905256
• Molecular Formula: C₂₀H₂₉N₃
• Molecular Weight: 311.47 g/mol
• Exact Mass: 311.24
• IUPAC Name: N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine
• SMILES: CCCN(C)C1CCN(c2cc(C)c3c(n2)C=CC=CC3)CC1
• InChI: InChI=1S/C20H29N3/c1-4-12-22(3)17-10-13-23(14-11-17)20-15-16(2)18-8-6-5-7-9-19(18)21-20/h5-7,9,15,17H,4,8,10-14H2,1-3H3
• InChIKey: NHLCEYNCZYDSND-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.47
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?

The IUPAC name of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine (CID 142905256) is N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine.

What is the SMILES notation for N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?

The canonical SMILES for N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine is CCCN(C)C1CCN(c2cc(C)c3c(n2)C=CC=CC3)CC1.

What is the InChIKey of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?

The InChIKey is NHLCEYNCZYDSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-4-12-22(3)17-10-13-23(14-11-17)20-15-16(2)18-8-6-5-7-9-19(18)21-20/h5-7,9,15,17H,4,8,10-14H2,1-3H3.

What are the key properties of N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine?

N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine has a molecular weight of 311.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-(4-methyl-5H-cyclohepta[b]pyridin-2-yl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 142905256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142905256 — identifiers, structure, computed properties (public domain)

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