tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate

C15H23ClN4O2 — CID 167138213

IUPACtert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate
SMILESCc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1Cl
InChIInChI=1S/C15H23ClN4O2/c1-10-8-12(18-19-13(10)16)17-11-6-5-7-20(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyLRCZNXZBUHWQKU-LLVKDONJSA-N
MW326.83 g/mol
LogP3.25
Rot. Bonds2

About tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate (PubChem CID 167138213) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate
PubChem CID167138213
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Nametert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate
SMILESCc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1Cl
InChIInChI=1S/C15H23ClN4O2/c1-10-8-12(18-19-13(10)16)17-11-6-5-7-20(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyLRCZNXZBUHWQKU-LLVKDONJSA-N
XLogP3.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate (CID 167138213) is tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate is Cc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1Cl.
What is the InChIKey of tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is LRCZNXZBUHWQKU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-10-8-12(18-19-13(10)16)17-11-6-5-7-20(9-11)14(21)22-15(2,3)4/h8,11H,5-7,9H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 326.83 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 167138213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).