4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one

C15H22FN3O — CID 63594889

IUPAC4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
SMILESCC(N)C(c1ccc(F)cc1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H22FN3O/c1-10(17)13(11-4-6-12(16)7-5-11)19-9-8-18-14(20)15(19,2)3/h4-7,10,13H,8-9,17H2,1-3H3,(H,18,20)
InChIKeyGOHUAWYGBVKXLP-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.42
Rot. Bonds3

About 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one

4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63594889) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
PubChem CID63594889
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
SMILESCC(N)C(c1ccc(F)cc1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H22FN3O/c1-10(17)13(11-4-6-12(16)7-5-11)19-9-8-18-14(20)15(19,2)3/h4-7,10,13H,8-9,17H2,1-3H3,(H,18,20)
InChIKeyGOHUAWYGBVKXLP-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one (CID 63594889) is 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one is CC(N)C(c1ccc(F)cc1)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GOHUAWYGBVKXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(17)13(11-4-6-12(16)7-5-11)19-9-8-18-14(20)15(19,2)3/h4-7,10,13H,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one?
4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63594889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).