tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane

C16H27N3O3 — CID 46739871

IUPACtert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C14H21N3O3.C2H6/c1-14(2,3)20-13(18)17-8-4-11(5-9-17)19-12-10-15-6-7-16-12;1-2/h6-7,10-11H,4-5,8-9H2,1-3H3;1-2H3
InChIKeyABULABHTBMPWBQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane

tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane (PubChem CID 46739871) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
PubChem CID46739871
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C14H21N3O3.C2H6/c1-14(2,3)20-13(18)17-8-4-11(5-9-17)19-12-10-15-6-7-16-12;1-2/h6-7,10-11H,4-5,8-9H2,1-3H3;1-2H3
InChIKeyABULABHTBMPWBQ-UHFFFAOYSA-N
XLogP3.28
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
2-ethyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 90558966
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
CID 71629755

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane (CID 46739871) is tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane?
The InChIKey is ABULABHTBMPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.C2H6/c1-14(2,3)20-13(18)17-8-4-11(5-9-17)19-12-10-15-6-7-16-12;1-2/h6-7,10-11H,4-5,8-9H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane?
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane has a molecular weight of 309.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane is sourced from PubChem (CID 46739871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).