2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine

C12H18ClN3 — CID 104924418

IUPAC2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
SMILESCC1CCN(c2cc(N)cc(Cl)n2)C(C)C1
InChIInChI=1S/C12H18ClN3/c1-8-3-4-16(9(2)5-8)12-7-10(14)6-11(13)15-12/h6-9H,3-5H2,1-2H3,(H2,14,15)
InChIKeyDCUISZXOSXSTKQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine

2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine (PubChem CID 104924418) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
PubChem CID104924418
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
SMILESCC1CCN(c2cc(N)cc(Cl)n2)C(C)C1
InChIInChI=1S/C12H18ClN3/c1-8-3-4-16(9(2)5-8)12-7-10(14)6-11(13)15-12/h6-9H,3-5H2,1-2H3,(H2,14,15)
InChIKeyDCUISZXOSXSTKQ-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.94
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 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine (CID 104924418) is 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine is CC1CCN(c2cc(N)cc(Cl)n2)C(C)C1.
What is the InChIKey of 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine?
The InChIKey is DCUISZXOSXSTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-3-4-16(9(2)5-8)12-7-10(14)6-11(13)15-12/h6-9H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine?
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine is sourced from PubChem (CID 104924418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).