2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine

C12H19N3O — CID 97162411

IUPAC2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
SMILESC[C@H](OC[C@@H]1CCCCN1)c1cnccn1
InChIInChI=1S/C12H19N3O/c1-10(12-8-13-6-7-15-12)16-9-11-4-2-3-5-14-11/h6-8,10-11,14H,2-5,9H2,1H3/t10-,11-/m0/s1
InChIKeyQOAHLQTYHOZDIL-QWRGUYRKSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds4

About 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine

2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine (PubChem CID 97162411) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine.

Molecular Properties

Compound Name2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
PubChem CID97162411
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
SMILESC[C@H](OC[C@@H]1CCCCN1)c1cnccn1
InChIInChI=1S/C12H19N3O/c1-10(12-8-13-6-7-15-12)16-9-11-4-2-3-5-14-11/h6-8,10-11,14H,2-5,9H2,1H3/t10-,11-/m0/s1
InChIKeyQOAHLQTYHOZDIL-QWRGUYRKSA-N
XLogP1.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
CID 71637955
2-[(1R)-1-[[(2R)-pyrrolidin-2-yl]methoxy]ethyl]pyrazine
CID 97162438
2-[1-(2-piperidin-2-ylethoxy)ethyl]pyrazine
CID 71638016
2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
CID 71638052
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
2-[(1R)-1-[[(2S)-pyrrolidin-2-yl]methoxy]ethyl]pyridine
CID 97162432
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
CID 97162101
2-[(1S)-1-[[(2R)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162417
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162415
(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604977
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine?
The IUPAC name of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine (CID 97162411) is 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine.
What is the SMILES notation for 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine?
The canonical SMILES for 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine is C[C@H](OC[C@@H]1CCCCN1)c1cnccn1.
What is the InChIKey of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine?
The InChIKey is QOAHLQTYHOZDIL-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(12-8-13-6-7-15-12)16-9-11-4-2-3-5-14-11/h6-8,10-11,14H,2-5,9H2,1H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine?
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine has a molecular weight of 221.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine is sourced from PubChem (CID 97162411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).