2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine

C16H16ClFN2 — CID 151572783

IUPAC2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine
SMILESFC1(c2ccccc2)CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C16H16ClFN2/c17-15-12-14(6-9-19-15)20-10-7-16(18,8-11-20)13-4-2-1-3-5-13/h1-6,9,12H,7-8,10-11H2
InChIKeyQEUPOAALOJBJAG-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.20
Rot. Bonds2

About 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine

2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine (PubChem CID 151572783) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine
PubChem CID151572783
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine
SMILESFC1(c2ccccc2)CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C16H16ClFN2/c17-15-12-14(6-9-19-15)20-10-7-16(18,8-11-20)13-4-2-1-3-5-13/h1-6,9,12H,7-8,10-11H2
InChIKeyQEUPOAALOJBJAG-UHFFFAOYSA-N
XLogP4.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine (CID 151572783) is 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine is FC1(c2ccccc2)CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine?
The InChIKey is QEUPOAALOJBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2/c17-15-12-14(6-9-19-15)20-10-7-16(18,8-11-20)13-4-2-1-3-5-13/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine?
2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine has a molecular weight of 290.77 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridine is sourced from PubChem (CID 151572783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).