2-(2-fluoropiperidin-4-yl)-1-methylpiperazine

C10H20FN3 — CID 90868872

IUPAC2-(2-fluoropiperidin-4-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1CCNC(F)C1
InChIInChI=1S/C10H20FN3/c1-14-5-4-12-7-9(14)8-2-3-13-10(11)6-8/h8-10,12-13H,2-7H2,1H3
InChIKeyUJNGHPUMJWWZPO-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.19
Rot. Bonds1

About 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine

2-(2-fluoropiperidin-4-yl)-1-methylpiperazine (PubChem CID 90868872) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(2-fluoropiperidin-4-yl)-1-methylpiperazine
PubChem CID90868872
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name2-(2-fluoropiperidin-4-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1CCNC(F)C1
InChIInChI=1S/C10H20FN3/c1-14-5-4-12-7-9(14)8-2-3-13-10(11)6-8/h8-10,12-13H,2-7H2,1H3
InChIKeyUJNGHPUMJWWZPO-UHFFFAOYSA-N
XLogP0.19
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine?
The IUPAC name of 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine (CID 90868872) is 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine.
What is the SMILES notation for 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine?
The canonical SMILES for 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine is CN1CCNCC1C1CCNC(F)C1.
What is the InChIKey of 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine?
The InChIKey is UJNGHPUMJWWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3/c1-14-5-4-12-7-9(14)8-2-3-13-10(11)6-8/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine?
2-(2-fluoropiperidin-4-yl)-1-methylpiperazine has a molecular weight of 201.29 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropiperidin-4-yl)-1-methylpiperazine is sourced from PubChem (CID 90868872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).