4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine

C₁₅H₂₇N — CID 175622919

About 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine

4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine (PubChem CID 175622919) has the molecular formula C₁₅H₂₇N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine.

Molecular Properties

• Compound Name: 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
• PubChem CID: 175622919
• Molecular Formula: C₁₅H₂₇N
• Molecular Weight: 221.39 g/mol
• Exact Mass: 221.21
• IUPAC Name: 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
• SMILES: CC1=CCCC(CN2CCC(C)CC2)CC1
• InChI: InChI=1S/C15H27N/c1-13-4-3-5-15(7-6-13)12-16-10-8-14(2)9-11-16/h4,14-15H,3,5-12H2,1-2H3
• InChIKey: BGUKFCCDMHOQHN-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.39
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?

The IUPAC name of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine (CID 175622919) is 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine.

What is the SMILES notation for 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?

The canonical SMILES for 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine is CC1=CCCC(CN2CCC(C)CC2)CC1.

What is the InChIKey of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?

The InChIKey is BGUKFCCDMHOQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-13-4-3-5-15(7-6-13)12-16-10-8-14(2)9-11-16/h4,14-15H,3,5-12H2,1-2H3.

What are the key properties of 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine?

4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine has a molecular weight of 221.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine is sourced from PubChem (CID 175622919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175622919 — identifiers, structure, computed properties (public domain)

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