Venlafaxine

C₁₇H₂₇NO₂ — CID 5656

About Venlafaxine

Venlafaxine (PubChem CID 5656) has the molecular formula C₁₇H₂₇NO₂ and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: Venlafaxine
• PubChem CID: 5656
• Molecular Formula: C₁₇H₂₇NO₂
• Molecular Weight: 277.41 g/mol
• Exact Mass: 277.20
• IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
• SMILES: COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
• InChI: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
• InChIKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.41
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Venlafaxine?

The IUPAC name of Venlafaxine (CID 5656) is 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.

What is the SMILES notation for Venlafaxine?

The canonical SMILES for Venlafaxine is COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.

What is the InChIKey of Venlafaxine?

The InChIKey is PNVNVHUZROJLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3.

What are the key properties of Venlafaxine?

Venlafaxine has a molecular weight of 277.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Venlafaxine is sourced from PubChem (CID 5656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5656 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2813 — approved-drug record (CC BY-SA 4.0)

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