1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine

C11H15ClFN3 — CID 79867696

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
SMILESCC1CN(c2ncc(Cl)cc2F)CCC1N
InChIInChI=1S/C11H15ClFN3/c1-7-6-16(3-2-10(7)14)11-9(13)4-8(12)5-15-11/h4-5,7,10H,2-3,6,14H2,1H3
InChIKeyWSPQODWJWBHNDB-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.05
Rot. Bonds1

About 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine

1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine (PubChem CID 79867696) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
PubChem CID79867696
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
SMILESCC1CN(c2ncc(Cl)cc2F)CCC1N
InChIInChI=1S/C11H15ClFN3/c1-7-6-16(3-2-10(7)14)11-9(13)4-8(12)5-15-11/h4-5,7,10H,2-3,6,14H2,1H3
InChIKeyWSPQODWJWBHNDB-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine (CID 79867696) is 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine is CC1CN(c2ncc(Cl)cc2F)CCC1N.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine?
The InChIKey is WSPQODWJWBHNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-7-6-16(3-2-10(7)14)11-9(13)4-8(12)5-15-11/h4-5,7,10H,2-3,6,14H2,1H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine?
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine has a molecular weight of 243.71 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 79867696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).