1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine

C10H21FN2 — CID 171505820

IUPAC1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)CC1(C)F
InChIInChI=1S/C10H21FN2/c1-5-13-7-6-12(9(2)3)8-10(13,4)11/h9H,5-8H2,1-4H3
InChIKeyNKROAZBATIQYRF-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.72
Rot. Bonds2

About 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine

1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine (PubChem CID 171505820) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
PubChem CID171505820
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
SMILESCCN1CCN(C(C)C)CC1(C)F
InChIInChI=1S/C10H21FN2/c1-5-13-7-6-12(9(2)3)8-10(13,4)11/h9H,5-8H2,1-4H3
InChIKeyNKROAZBATIQYRF-UHFFFAOYSA-N
XLogP1.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine (CID 171505820) is 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine is CCN1CCN(C(C)C)CC1(C)F.
What is the InChIKey of 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine?
The InChIKey is NKROAZBATIQYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-5-13-7-6-12(9(2)3)8-10(13,4)11/h9H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine?
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine has a molecular weight of 188.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 171505820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).