1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine

C12H17ClFN3 — CID 79728781

IUPAC1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C12H17ClFN3/c1-15-8-10-4-2-3-5-17(10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyOAKSNOOMDSCAEN-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.45
Rot. Bonds3

About 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 79728781) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID79728781
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1ncc(Cl)cc1F
InChIInChI=1S/C12H17ClFN3/c1-15-8-10-4-2-3-5-17(10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3
InChIKeyOAKSNOOMDSCAEN-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine (CID 79728781) is 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1c1ncc(Cl)cc1F.
What is the InChIKey of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is OAKSNOOMDSCAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c1-15-8-10-4-2-3-5-17(10)12-11(14)6-9(13)7-16-12/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 257.74 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79728781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).