4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid

C14H19FN2O2 — CID 20994315

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c15-12-4-1-2-5-13(12)17-10-8-16(9-11-17)7-3-6-14(18)19/h1-2,4-5H,3,6-11H2,(H,18,19)
InChIKeyQKIFAYHHZWQNRS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.81
Rot. Bonds5

About 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid

4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid (PubChem CID 20994315) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
PubChem CID20994315
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c15-12-4-1-2-5-13(12)17-10-8-16(9-11-17)7-3-6-14(18)19/h1-2,4-5H,3,6-11H2,(H,18,19)
InChIKeyQKIFAYHHZWQNRS-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
6-[4-(2-cyanophenyl)piperazin-1-yl]hexanoic acid
CID 69145059
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 22029307
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
2-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]butanamide
CID 63030253
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 2982236
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid (CID 20994315) is 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid?
The InChIKey is QKIFAYHHZWQNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-4-1-2-5-13(12)17-10-8-16(9-11-17)7-3-6-14(18)19/h1-2,4-5H,3,6-11H2,(H,18,19).
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid?
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 20994315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).