4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid

C18H17FN2O2 — CID 155162908

IUPAC4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=C(c2ccccc2)c2cccc(F)n2)CC1
InChIInChI=1S/C18H17FN2O2/c19-16-8-4-7-15(20-16)17(13-5-2-1-3-6-13)14-9-11-21(12-10-14)18(22)23/h1-8H,9-12H2,(H,22,23)
InChIKeyMCLZZTRATCOYGO-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.80
Rot. Bonds2

About 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid

4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid (PubChem CID 155162908) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid
PubChem CID155162908
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=C(c2ccccc2)c2cccc(F)n2)CC1
InChIInChI=1S/C18H17FN2O2/c19-16-8-4-7-15(20-16)17(13-5-2-1-3-6-13)14-9-11-21(12-10-14)18(22)23/h1-8H,9-12H2,(H,22,23)
InChIKeyMCLZZTRATCOYGO-UHFFFAOYSA-N
XLogP3.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzhydrylidenepiperidine-1-carboxylate
CID 118098575
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323469
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
propan-2-yl 6-fluoropyridine-2-carboxylate
CID 57438917
4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methylidene]piperidine-1-carboxylic acid
CID 69475946
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
(6-fluoro-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 115496754
cyclopropyl-(6-fluoro-2-pyridinyl)methanone
CID 134465722
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-2-pyridinyl)methanone
CID 113342783
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid (CID 155162908) is 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid is O=C(O)N1CCC(=C(c2ccccc2)c2cccc(F)n2)CC1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid?
The InChIKey is MCLZZTRATCOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-8-4-7-15(20-16)17(13-5-2-1-3-6-13)14-9-11-21(12-10-14)18(22)23/h1-8H,9-12H2,(H,22,23).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid?
4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid has a molecular weight of 312.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)-phenylmethylidene]piperidine-1-carboxylic acid is sourced from PubChem (CID 155162908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).