[4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C17H24FN3O2 — CID 51001130

IUPAC[4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESNC(CN1CCN(C(=O)C2CCCO2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2/c18-14-5-3-13(4-6-14)15(19)12-20-7-9-21(10-8-20)17(22)16-2-1-11-23-16/h3-6,15-16H,1-2,7-12,19H2
InChIKeyRBEIIFQOKOPRHP-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.15
Rot. Bonds4

About [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51001130) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51001130
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name[4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESNC(CN1CCN(C(=O)C2CCCO2)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2/c18-14-5-3-13(4-6-14)15(19)12-20-7-9-21(10-8-20)17(22)16-2-1-11-23-16/h3-6,15-16H,1-2,7-12,19H2
InChIKeyRBEIIFQOKOPRHP-UHFFFAOYSA-N
XLogP1.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51001130) is [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is NC(CN1CCN(C(=O)C2CCCO2)CC1)c1ccc(F)cc1.
What is the InChIKey of [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is RBEIIFQOKOPRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-5-3-13(4-6-14)15(19)12-20-7-9-21(10-8-20)17(22)16-2-1-11-23-16/h3-6,15-16H,1-2,7-12,19H2.
What are the key properties of [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 321.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51001130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).