tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate

C17H27N3O3 — CID 97173227

IUPACtert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1cnccn1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-11-5-4-7-14(20)8-6-12-22-15-13-18-9-10-19-15/h9-10,13-14H,4-8,11-12H2,1-3H3/t14-/m0/s1
InChIKeyMVYVLFIGKLOJOL-AWEZNQCLSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds5

About tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate (PubChem CID 97173227) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate
PubChem CID97173227
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1cnccn1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-11-5-4-7-14(20)8-6-12-22-15-13-18-9-10-19-15/h9-10,13-14H,4-8,11-12H2,1-3H3/t14-/m0/s1
InChIKeyMVYVLFIGKLOJOL-AWEZNQCLSA-N
XLogP3.43
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[3-[(4-cyano-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 71631560
tert-butyl (2S)-2-(pyrazin-2-yloxymethyl)azetidine-1-carboxylate
CID 18391695
tert-butyl (2S)-2-[3-(2-methylsulfanylpyrimidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 97168445
tert-butyl (2R)-2-[3-(1,3-thiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 97173228
tert-butyl (2S)-2-[3-[(3-chloropyrazin-2-yl)methoxy]propyl]piperidine-1-carboxylate
CID 97173295
tert-butyl (2R)-2-[2-(2-chloropyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 97173304
tert-butyl (2S)-2-(pyrazin-2-ylsulfanylmethyl)piperidine-1-carboxylate
CID 97031777
tert-butyl (2R)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176826
tert-butyl (2S)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176825
tert-butyl (2R)-2-[3-(1,3-thiazol-5-ylmethoxy)propyl]piperidine-1-carboxylate
CID 97173288
tert-butyl 2-[3-(2-oxo-2-pyridin-2-ylethoxy)propyl]piperidine-1-carboxylate
CID 71631587
tert-butyl (2R)-2-[2-(3-methylpyrazin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 97176860

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate (CID 97173227) is tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1cnccn1.
What is the InChIKey of tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate?
The InChIKey is MVYVLFIGKLOJOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-11-5-4-7-14(20)8-6-12-22-15-13-18-9-10-19-15/h9-10,13-14H,4-8,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(3-pyrazin-2-yloxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 97173227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).