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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Related Compounds

1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(5-Chloropyridin-3-yl)piperazine
CID 10559857
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
(1R,6S)-8-(5,6-dichloro-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9813803
2-(5,6-Dichloro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 9816268
(1S,6R)-8-(5,6-dichloro-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9856458
2-(6-Chloropyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9925774
NS-3956 free base
CID 11701287
(1R,6S)-3-(5,6-dichloropyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099071

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).