2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine

C17H19FN2O — CID 133279366

IUPAC2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
SMILESCOc1cccc(C2CCN(c3cccc(F)n3)CC2)c1
InChIInChI=1S/C17H19FN2O/c1-21-15-5-2-4-14(12-15)13-8-10-20(11-9-13)17-7-3-6-16(18)19-17/h2-7,12-13H,8-11H2,1H3
InChIKeyRNEAPNIQUCPDCW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.61
Rot. Bonds3

About 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine

2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine (PubChem CID 133279366) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
PubChem CID133279366
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine
SMILESCOc1cccc(C2CCN(c3cccc(F)n3)CC2)c1
InChIInChI=1S/C17H19FN2O/c1-21-15-5-2-4-14(12-15)13-8-10-20(11-9-13)17-7-3-6-16(18)19-17/h2-7,12-13H,8-11H2,1H3
InChIKeyRNEAPNIQUCPDCW-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methoxyphenyl)piperidin-1-yl]-6-methylpyrazine
CID 133469302
6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279385
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
CID 133405273
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
4-(3,5-dimethoxyphenyl)-1-(6-fluoro-2-pyridinyl)piperidin-4-ol
CID 133362438
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122136129
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine?
The IUPAC name of 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine (CID 133279366) is 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine is COc1cccc(C2CCN(c3cccc(F)n3)CC2)c1.
What is the InChIKey of 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine?
The InChIKey is RNEAPNIQUCPDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-15-5-2-4-14(12-15)13-8-10-20(11-9-13)17-7-3-6-16(18)19-17/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine?
2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine has a molecular weight of 286.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 133279366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).