4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid

C15H15FN2O2 — CID 21073349

IUPAC4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(F)c3ccccc23)CC1
InChIInChI=1S/C15H15FN2O2/c16-13-5-6-14(12-4-2-1-3-11(12)13)17-7-9-18(10-8-17)15(19)20/h1-6H,7-10H2,(H,19,20)
InChIKeyPUINMAMKJMZCAZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.78
Rot. Bonds1

About 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid

4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid (PubChem CID 21073349) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid
PubChem CID21073349
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(F)c3ccccc23)CC1
InChIInChI=1S/C15H15FN2O2/c16-13-5-6-14(12-4-2-1-3-11(12)13)17-7-9-18(10-8-17)15(19)20/h1-6H,7-10H2,(H,19,20)
InChIKeyPUINMAMKJMZCAZ-UHFFFAOYSA-N
XLogP2.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
4-(2-fluoro-4-methylsulfinylphenyl)piperazine-1-carboxylic acid
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4-(2,3-diaminophenyl)piperazine-1-carboxylic acid
CID 141138614
4-[4-(2-aminoethyl)-2-fluorophenyl]piperazine-1-carboxylic acid
CID 130302997
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
4-(4-bromo-2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 130302995
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
4-[[2-(4-fluoronaphthalen-1-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]piperazine-1-carboxylic acid
CID 70256445
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid (CID 21073349) is 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc(F)c3ccccc23)CC1.
What is the InChIKey of 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid?
The InChIKey is PUINMAMKJMZCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-13-5-6-14(12-4-2-1-3-11(12)13)17-7-9-18(10-8-17)15(19)20/h1-6H,7-10H2,(H,19,20).
What are the key properties of 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid?
4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoronaphthalen-1-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 21073349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).