2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide

C14H21FN4O — CID 63030253

IUPAC2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
SMILESNC(=O)C(N)CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H21FN4O/c15-11-3-1-2-4-13(11)19-9-7-18(8-10-19)6-5-12(16)14(17)20/h1-4,12H,5-10,16H2,(H2,17,20)
InChIKeyOCBGLYSJQHVILY-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.15
Rot. Bonds5

About 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide

2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide (PubChem CID 63030253) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
PubChem CID63030253
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
SMILESNC(=O)C(N)CCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H21FN4O/c15-11-3-1-2-4-13(11)19-9-7-18(8-10-19)6-5-12(16)14(17)20/h1-4,12H,5-10,16H2,(H2,17,20)
InChIKeyOCBGLYSJQHVILY-UHFFFAOYSA-N
XLogP0.15
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
2-amino-4-(1,3-dihydroisoindol-2-yl)butanamide
CID 63054697
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide?
The IUPAC name of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide (CID 63030253) is 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide.
What is the SMILES notation for 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide?
The canonical SMILES for 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide is NC(=O)C(N)CCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide?
The InChIKey is OCBGLYSJQHVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-11-3-1-2-4-13(11)19-9-7-18(8-10-19)6-5-12(16)14(17)20/h1-4,12H,5-10,16H2,(H2,17,20).
What are the key properties of 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide?
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide has a molecular weight of 280.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 63030253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).