2-(2-piperidin-3-ylethoxymethyl)pyrazine

C12H19N3O — CID 71636598

IUPAC2-(2-piperidin-3-ylethoxymethyl)pyrazine
SMILESc1cnc(COCCC2CCCNC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-11(8-13-4-1)3-7-16-10-12-9-14-5-6-15-12/h5-6,9,11,13H,1-4,7-8,10H2
InChIKeyFCRQIXFCQGVAMO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-piperidin-3-ylethoxymethyl)pyrazine

2-(2-piperidin-3-ylethoxymethyl)pyrazine (PubChem CID 71636598) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethoxymethyl)pyrazine.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethoxymethyl)pyrazine
PubChem CID71636598
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-piperidin-3-ylethoxymethyl)pyrazine
SMILESc1cnc(COCCC2CCCNC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-11(8-13-4-1)3-7-16-10-12-9-14-5-6-15-12/h5-6,9,11,13H,1-4,7-8,10H2
InChIKeyFCRQIXFCQGVAMO-UHFFFAOYSA-N
XLogP1.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
8-(2-piperidin-3-ylethoxymethyl)quinoline
CID 62356483
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
4-methoxy-3,5-dimethyl-2-(2-piperidin-3-ylethoxymethyl)pyridine
CID 62357177

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylethoxymethyl)pyrazine?
The IUPAC name of 2-(2-piperidin-3-ylethoxymethyl)pyrazine (CID 71636598) is 2-(2-piperidin-3-ylethoxymethyl)pyrazine.
What is the SMILES notation for 2-(2-piperidin-3-ylethoxymethyl)pyrazine?
The canonical SMILES for 2-(2-piperidin-3-ylethoxymethyl)pyrazine is c1cnc(COCCC2CCCNC2)cn1.
What is the InChIKey of 2-(2-piperidin-3-ylethoxymethyl)pyrazine?
The InChIKey is FCRQIXFCQGVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-11(8-13-4-1)3-7-16-10-12-9-14-5-6-15-12/h5-6,9,11,13H,1-4,7-8,10H2.
What are the key properties of 2-(2-piperidin-3-ylethoxymethyl)pyrazine?
2-(2-piperidin-3-ylethoxymethyl)pyrazine has a molecular weight of 221.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethoxymethyl)pyrazine is sourced from PubChem (CID 71636598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).