pyridazin-4-yl piperidine-1-carboxylate

C10H13N3O2 — CID 175189691

IUPACpyridazin-4-yl piperidine-1-carboxylate
SMILESO=C(Oc1ccnnc1)N1CCCCC1
InChIInChI=1S/C10H13N3O2/c14-10(13-6-2-1-3-7-13)15-9-4-5-11-12-8-9/h4-5,8H,1-3,6-7H2
InChIKeyLIRRQBUQMRRLOU-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.46
Rot. Bonds1

About pyridazin-4-yl piperidine-1-carboxylate

pyridazin-4-yl piperidine-1-carboxylate (PubChem CID 175189691) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is pyridazin-4-yl piperidine-1-carboxylate.

Molecular Properties

Compound Namepyridazin-4-yl piperidine-1-carboxylate
PubChem CID175189691
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namepyridazin-4-yl piperidine-1-carboxylate
SMILESO=C(Oc1ccnnc1)N1CCCCC1
InChIInChI=1S/C10H13N3O2/c14-10(13-6-2-1-3-7-13)15-9-4-5-11-12-8-9/h4-5,8H,1-3,6-7H2
InChIKeyLIRRQBUQMRRLOU-UHFFFAOYSA-N
XLogP1.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
1,2-oxazol-5-yl piperidine-1-carboxylate
CID 24866165
(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
CID 175498808
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
1,3,4-oxadiazol-2-yl piperidine-1-carboxylate
CID 175191230
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
phenyl 4-(cyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 110799294
(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate
CID 118041589
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
CID 971360
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664

Frequently Asked Questions

What is the IUPAC name of pyridazin-4-yl piperidine-1-carboxylate?
The IUPAC name of pyridazin-4-yl piperidine-1-carboxylate (CID 175189691) is pyridazin-4-yl piperidine-1-carboxylate.
What is the SMILES notation for pyridazin-4-yl piperidine-1-carboxylate?
The canonical SMILES for pyridazin-4-yl piperidine-1-carboxylate is O=C(Oc1ccnnc1)N1CCCCC1.
What is the InChIKey of pyridazin-4-yl piperidine-1-carboxylate?
The InChIKey is LIRRQBUQMRRLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(13-6-2-1-3-7-13)15-9-4-5-11-12-8-9/h4-5,8H,1-3,6-7H2.
What are the key properties of pyridazin-4-yl piperidine-1-carboxylate?
pyridazin-4-yl piperidine-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-4-yl piperidine-1-carboxylate is sourced from PubChem (CID 175189691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).