cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C14H17FN2O — CID 757898

IUPACcyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyFYCKRJKFEXRNGG-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.88
Rot. Bonds2

About cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 757898) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID757898
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Namecyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyFYCKRJKFEXRNGG-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 757898) is cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FYCKRJKFEXRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2.
What are the key properties of cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 248.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 757898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).