6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine

C10H15ClN4 — CID 115035891

IUPAC6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NC2CCNCC2)c1
InChIInChI=1S/C10H15ClN4/c11-9-5-7(12)6-10(15-9)14-8-1-3-13-4-2-8/h5-6,8,13H,1-4H2,(H3,12,14,15)
InChIKeyJAQMGFOENYAQGN-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.48
Rot. Bonds2

About 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine

6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine (PubChem CID 115035891) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
PubChem CID115035891
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NC2CCNCC2)c1
InChIInChI=1S/C10H15ClN4/c11-9-5-7(12)6-10(15-9)14-8-1-3-13-4-2-8/h5-6,8,13H,1-4H2,(H3,12,14,15)
InChIKeyJAQMGFOENYAQGN-UHFFFAOYSA-N
XLogP1.48
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine
CID 130834085
6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
CID 104925398
2-chloro-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 59210366
6-chloro-2-N-piperidin-4-ylpyridine-2,3-diamine
CID 123942355
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
CID 102809339
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine
CID 104924476
2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
CID 89025318
2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 70341229
2-[(4-amino-6-chloro-2-pyridinyl)amino]-1-cyclopropylethanol
CID 104924180
6-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 115025325

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine (CID 115035891) is 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine is Nc1cc(Cl)nc(NC2CCNCC2)c1.
What is the InChIKey of 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine?
The InChIKey is JAQMGFOENYAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-9-5-7(12)6-10(15-9)14-8-1-3-13-4-2-8/h5-6,8,13H,1-4H2,(H3,12,14,15).
What are the key properties of 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine?
6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine has a molecular weight of 226.71 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine is sourced from PubChem (CID 115035891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).