2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine

C13H21N3O — CID 97162546

IUPAC2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
SMILESC[C@@H](OCC[C@H]1CCCNC1)c1cnccn1
InChIInChI=1S/C13H21N3O/c1-11(13-10-15-6-7-16-13)17-8-4-12-3-2-5-14-9-12/h6-7,10-12,14H,2-5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyKDXOYHQZBAXXHK-VXGBXAGGSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds5

About 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine

2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine (PubChem CID 97162546) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine.

Molecular Properties

Compound Name2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
PubChem CID97162546
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
SMILESC[C@@H](OCC[C@H]1CCCNC1)c1cnccn1
InChIInChI=1S/C13H21N3O/c1-11(13-10-15-6-7-16-13)17-8-4-12-3-2-5-14-9-12/h6-7,10-12,14H,2-5,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyKDXOYHQZBAXXHK-VXGBXAGGSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-piperidin-4-ylpropoxy)ethyl]pyrazine
CID 71638076
2-[1-(2-piperidin-2-ylethoxy)ethyl]pyrazine
CID 71638016
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299
2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
CID 71638052
2-[(1R)-1-[[(2R)-pyrrolidin-2-yl]methoxy]ethyl]pyrazine
CID 97162438
3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
CID 71638020
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633709
3-[2-[1-(furan-2-yl)ethoxy]ethyl]piperidine;hydrochloride
CID 71638021
(3R)-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-amine
CID 97162191

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine?
The IUPAC name of 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine (CID 97162546) is 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine.
What is the SMILES notation for 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine?
The canonical SMILES for 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine is C[C@@H](OCC[C@H]1CCCNC1)c1cnccn1.
What is the InChIKey of 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine?
The InChIKey is KDXOYHQZBAXXHK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(13-10-15-6-7-16-13)17-8-4-12-3-2-5-14-9-12/h6-7,10-12,14H,2-5,8-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine?
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine has a molecular weight of 235.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine is sourced from PubChem (CID 97162546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).