1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine

C11H15Cl2N3 — CID 87779255

IUPAC1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine
SMILESCNC1CCCCN1c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N3/c1-14-10-4-2-3-5-16(10)8-6-9(12)11(13)15-7-8/h6-7,10,14H,2-5H2,1H3
InChIKeyOHAFBZDSUDWREV-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.92
Rot. Bonds2

About 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine

1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine (PubChem CID 87779255) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine.

Molecular Properties

Compound Name1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine
PubChem CID87779255
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine
SMILESCNC1CCCCN1c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N3/c1-14-10-4-2-3-5-16(10)8-6-9(12)11(13)15-7-8/h6-7,10,14H,2-5H2,1H3
InChIKeyOHAFBZDSUDWREV-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine?
The IUPAC name of 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine (CID 87779255) is 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine.
What is the SMILES notation for 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine?
The canonical SMILES for 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine is CNC1CCCCN1c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine?
The InChIKey is OHAFBZDSUDWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-14-10-4-2-3-5-16(10)8-6-9(12)11(13)15-7-8/h6-7,10,14H,2-5H2,1H3.
What are the key properties of 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine?
1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine has a molecular weight of 260.17 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloro-3-pyridinyl)-N-methylpiperidin-2-amine is sourced from PubChem (CID 87779255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).