N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine

C₁₈H₂₈N₂ — CID 83997890

About N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine

N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine (PubChem CID 83997890) has the molecular formula C₁₈H₂₈N₂ and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine.

Molecular Properties

• Compound Name: N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
• PubChem CID: 83997890
• Molecular Formula: C₁₈H₂₈N₂
• Molecular Weight: 272.44 g/mol
• Exact Mass: 272.23
• IUPAC Name: N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine
• SMILES: CC1CC(NCC2CCCC2)CN(c2ccccc2)C1
• InChI: InChI=1S/C18H28N2/c1-15-11-17(19-12-16-7-5-6-8-16)14-20(13-15)18-9-3-2-4-10-18/h2-4,9-10,15-17,19H,5-8,11-14H2,1H3
• InChIKey: QMCVZTODKYKGGL-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.44
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine?

The IUPAC name of N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine (CID 83997890) is N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine.

What is the SMILES notation for N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine?

The canonical SMILES for N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine is CC1CC(NCC2CCCC2)CN(c2ccccc2)C1.

What is the InChIKey of N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine?

The InChIKey is QMCVZTODKYKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-11-17(19-12-16-7-5-6-8-16)14-20(13-15)18-9-3-2-4-10-18/h2-4,9-10,15-17,19H,5-8,11-14H2,1H3.

What are the key properties of N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine?

N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylmethyl)-5-methyl-1-phenylpiperidin-3-amine is sourced from PubChem (CID 83997890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83997890 — identifiers, structure, computed properties (public domain)

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