tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate

C16H25N3O3 — CID 97175835

IUPACtert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
SMILESC[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1
InChIInChI=1S/C16H25N3O3/c1-12(14-11-17-7-8-18-14)21-13-5-9-19(10-6-13)15(20)22-16(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyWSDNBAVNQXEKMG-LBPRGKRZSA-N
MW307.39 g/mol
LogP2.95
Rot. Bonds3

About tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate

tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate (PubChem CID 97175835) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
PubChem CID97175835
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
SMILESC[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1
InChIInChI=1S/C16H25N3O3/c1-12(14-11-17-7-8-18-14)21-13-5-9-19(10-6-13)15(20)22-16(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyWSDNBAVNQXEKMG-LBPRGKRZSA-N
XLogP2.95
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175693
tert-butyl 4-[3-[(1S)-1-pyrazin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176061
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl (3S)-3-[methyl(1-pyrazin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633228
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl 4-[[methyl-[(1S)-1-pyrazin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175389
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633709
tert-butyl (3R)-3-methyl-4-[(1R)-1-pyrazin-2-ylethyl]piperazine-1-carboxylate
CID 129460598

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate (CID 97175835) is tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate is C[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1.
What is the InChIKey of tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate?
The InChIKey is WSDNBAVNQXEKMG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(14-11-17-7-8-18-14)21-13-5-9-19(10-6-13)15(20)22-16(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate?
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 97175835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).