2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid

C15H17FN2O2 — CID 141141567

IUPAC2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H17FN2O2/c16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)9-15(19)20/h1-2,7-8,10,17H,3-6,9H2,(H,19,20)
InChIKeyCAEMSLPRJKEYSR-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.57
Rot. Bonds3

About 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid

2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid (PubChem CID 141141567) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
PubChem CID141141567
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C15H17FN2O2/c16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)9-15(19)20/h1-2,7-8,10,17H,3-6,9H2,(H,19,20)
InChIKeyCAEMSLPRJKEYSR-UHFFFAOYSA-N
XLogP2.57
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 145286856
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
4-[[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-oxoacetyl]amino]butanoic acid
CID 167977981
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]pentan-1-one
CID 113087593
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 113087621
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
6-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 97064531
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-methyl-2,3-dihydropyrazin-2-yl)methanone
CID 144855100
3-ethyl-3-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 166248374
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 123328484
methyl 1-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylate
CID 91660760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid (CID 141141567) is 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid?
The InChIKey is CAEMSLPRJKEYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)9-15(19)20/h1-2,7-8,10,17H,3-6,9H2,(H,19,20).
What are the key properties of 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid?
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid has a molecular weight of 276.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 141141567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).