(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride

C₁₃H₁₉Cl₂FN₂O — CID 120966667

About (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride

(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride (PubChem CID 120966667) has the molecular formula C₁₃H₁₉Cl₂FN₂O and a molecular weight of 309.21 g/mol. Its IUPAC name is (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

• Compound Name: (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
• PubChem CID: 120966667
• Molecular Formula: C₁₃H₁₉Cl₂FN₂O
• Molecular Weight: 309.21 g/mol
• Exact Mass: 308.09
• IUPAC Name: (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
• SMILES: C[C@@H]1CNCCN1CCOc1ccc(F)cc1Cl.Cl
• InChI: InChI=1S/C13H18ClFN2O.ClH/c1-10-9-16-4-5-17(10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H/t10-;/m1./s1
• InChIKey: KSGMTNWMPSITLB-HNCPQSOCSA-N
• XLogP: 2.57
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.21
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?

The IUPAC name of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride (CID 120966667) is (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride.

What is the SMILES notation for (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?

The canonical SMILES for (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride is C[C@@H]1CNCCN1CCOc1ccc(F)cc1Cl.Cl.

What is the InChIKey of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?

The InChIKey is KSGMTNWMPSITLB-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H18ClFN2O.ClH/c1-10-9-16-4-5-17(10)6-7-18-13-3-2-11(15)8-12(13)14;/h2-3,8,10,16H,4-7,9H2,1H3;1H/t10-;/m1./s1.

What are the key properties of (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride?

(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride has a molecular weight of 309.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 120966667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120966667 — identifiers, structure, computed properties (public domain)

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