1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C12H21FN2O — CID 126750299

IUPAC1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C2CC2F)CC1
InChIInChI=1S/C12H21FN2O/c1-12(2,3)11(16)15-6-4-14(5-7-15)10-8-9(10)13/h9-10H,4-8H2,1-3H3
InChIKeyBCEUXHASDSHDMK-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.29
Rot. Bonds1

About 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 126750299) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID126750299
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C2CC2F)CC1
InChIInChI=1S/C12H21FN2O/c1-12(2,3)11(16)15-6-4-14(5-7-15)10-8-9(10)13/h9-10H,4-8H2,1-3H3
InChIKeyBCEUXHASDSHDMK-UHFFFAOYSA-N
XLogP1.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 126750299) is 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C2CC2F)CC1.
What is the InChIKey of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BCEUXHASDSHDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-12(2,3)11(16)15-6-4-14(5-7-15)10-8-9(10)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 228.31 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126750299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).