2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid

C16H17FN2O2 — CID 121318145

IUPAC2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C16H17FN2O2/c17-12-1-2-14-13(10-12)15(3-6-18-14)19-7-4-11(5-8-19)9-16(20)21/h1-3,6,10-11H,4-5,7-9H2,(H,20,21)
InChIKeyVAMQSHYBRYUJEF-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.07
Rot. Bonds3

About 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid

2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid (PubChem CID 121318145) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
PubChem CID121318145
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C16H17FN2O2/c17-12-1-2-14-13(10-12)15(3-6-18-14)19-7-4-11(5-8-19)9-16(20)21/h1-3,6,10-11H,4-5,7-9H2,(H,20,21)
InChIKeyVAMQSHYBRYUJEF-UHFFFAOYSA-N
XLogP3.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9926621
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CID 9924539
1-(4-Carboxybutyl)-3-methyl-2-(3-pyridyl)indole
CID 15591372
4-(Quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
Ethyl 1-(3-benzoyl-6-fluoroquinolin-4-yl)piperidine-3-carboxylate
CID 16010857
7-[4-(Quinolin-3-ylmethyl)phenyl]heptanoic acid
CID 10360337
3-(Quinolin-3-yl)propanoic acid
CID 12415751
3,3-Dimethyl-5-oxo-5-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]pentanoic acid
CID 2810136
7-[4-(Quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
2-(3-Fluoro-4-quinolin-3-ylphenyl)propanoic acid
CID 152680980
2-[1-[4-(6-Butylpyrazin-2-yl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121446810
2-[1-[4-(6-Cyclobutylpyrazin-2-yl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121447031

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid (CID 121318145) is 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid?
The InChIKey is VAMQSHYBRYUJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-1-2-14-13(10-12)15(3-6-18-14)19-7-4-11(5-8-19)9-16(20)21/h1-3,6,10-11H,4-5,7-9H2,(H,20,21).
What are the key properties of 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid?
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 121318145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).