tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate

C15H22ClN3O3 — CID 89148934

IUPACtert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2cnc(Cl)cn2)CC1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(20)19-6-4-12(5-7-19)21-10-11-8-18-13(16)9-17-11/h8-9,12H,4-7,10H2,1-3H3
InChIKeySOMLJGAFVUCUKP-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate

tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate (PubChem CID 89148934) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate
PubChem CID89148934
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Nametert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2cnc(Cl)cn2)CC1
InChIInChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(20)19-6-4-12(5-7-19)21-10-11-8-18-13(16)9-17-11/h8-9,12H,4-7,10H2,1-3H3
InChIKeySOMLJGAFVUCUKP-UHFFFAOYSA-N
XLogP3.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
CID 71629755
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 4-[(2-chloro-4-fluorophenyl)methoxy]piperidine-1-carboxylate
CID 118110637
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-[(5-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylate
CID 90288728
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl (3S)-3-[(5-chloro-4-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 157407419

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate (CID 89148934) is tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2cnc(Cl)cn2)CC1.
What is the InChIKey of tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is SOMLJGAFVUCUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(20)19-6-4-12(5-7-19)21-10-11-8-18-13(16)9-17-11/h8-9,12H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 327.81 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 89148934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).