1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine

C13H20FN3 — CID 54986345

IUPAC1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C13H20FN3/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyZLEXCLQOIAPITF-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 54986345) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID54986345
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C13H20FN3/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyZLEXCLQOIAPITF-UHFFFAOYSA-N
XLogP2.00
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.00
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 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 54986345) is 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is ZLEXCLQOIAPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-16(2)10-11-6-8-17(9-7-11)13-5-3-4-12(14)15-13/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 54986345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).