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

C17H26FN3 — CID 133447328

IUPAC2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
SMILESCC1CCN(CC2CCCN(c3cccc(F)n3)C2)CC1
InChIInChI=1S/C17H26FN3/c1-14-7-10-20(11-8-14)12-15-4-3-9-21(13-15)17-6-2-5-16(18)19-17/h2,5-6,14-15H,3-4,7-13H2,1H3
InChIKeySJZPPTCXGASMLX-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.17
Rot. Bonds3

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

2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine (PubChem CID 133447328) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
PubChem CID133447328
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
SMILESCC1CCN(CC2CCCN(c3cccc(F)n3)C2)CC1
InChIInChI=1S/C17H26FN3/c1-14-7-10-20(11-8-14)12-15-4-3-9-21(13-15)17-6-2-5-16(18)19-17/h2,5-6,14-15H,3-4,7-13H2,1H3
InChIKeySJZPPTCXGASMLX-UHFFFAOYSA-N
XLogP3.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
The IUPAC name of 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine (CID 133447328) is 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine is CC1CCN(CC2CCCN(c3cccc(F)n3)C2)CC1.
What is the InChIKey of 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
The InChIKey is SJZPPTCXGASMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-14-7-10-20(11-8-14)12-15-4-3-9-21(13-15)17-6-2-5-16(18)19-17/h2,5-6,14-15H,3-4,7-13H2,1H3.
What are the key properties of 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine?
2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine has a molecular weight of 291.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 133447328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).