2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride

C12H20ClN3O — CID 71637955

IUPAC2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
SMILESCC(OCC1CCCCN1)c1cnccn1.Cl
InChIInChI=1S/C12H19N3O.ClH/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;1H
InChIKeyJMMKBJMXAMDRBQ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride

2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride (PubChem CID 71637955) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
PubChem CID71637955
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
SMILESCC(OCC1CCCCN1)c1cnccn1.Cl
InChIInChI=1S/C12H19N3O.ClH/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;1H
InChIKeyJMMKBJMXAMDRBQ-UHFFFAOYSA-N
XLogP2.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
CID 97162411
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-[[(2S)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162415
2-[(1S)-1-[[(2R)-piperidin-2-yl]methoxy]ethyl]-1,3-thiazole
CID 97162417
(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-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride?
The IUPAC name of 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride (CID 71637955) is 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride.
What is the SMILES notation for 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride?
The canonical SMILES for 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride is CC(OCC1CCCCN1)c1cnccn1.Cl.
What is the InChIKey of 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride?
The InChIKey is JMMKBJMXAMDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/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;1H.
What are the key properties of 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride?
2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride is sourced from PubChem (CID 71637955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).