2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine

C16H25BrN2 — CID 175176214

IUPAC2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine
SMILESCCCCC(c1cccc(Br)n1)C1CCN(C)CC1
InChIInChI=1S/C16H25BrN2/c1-3-4-6-14(13-9-11-19(2)12-10-13)15-7-5-8-16(17)18-15/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3
InChIKeyDCGXQTMEFWTJLA-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.46
Rot. Bonds5

About 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine

2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine (PubChem CID 175176214) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine
PubChem CID175176214
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine
SMILESCCCCC(c1cccc(Br)n1)C1CCN(C)CC1
InChIInChI=1S/C16H25BrN2/c1-3-4-6-14(13-9-11-19(2)12-10-13)15-7-5-8-16(17)18-15/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3
InChIKeyDCGXQTMEFWTJLA-UHFFFAOYSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.46
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-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine?
The IUPAC name of 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine (CID 175176214) is 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine.
What is the SMILES notation for 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine?
The canonical SMILES for 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine is CCCCC(c1cccc(Br)n1)C1CCN(C)CC1.
What is the InChIKey of 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine?
The InChIKey is DCGXQTMEFWTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-4-6-14(13-9-11-19(2)12-10-13)15-7-5-8-16(17)18-15/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3.
What are the key properties of 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine?
2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine has a molecular weight of 325.29 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[1-(1-methylpiperidin-4-yl)pentyl]pyridine is sourced from PubChem (CID 175176214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).