2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine

C14H23N3O — CID 71638052

IUPAC2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
SMILESCC(OCCCC1CCCCN1)c1cnccn1
InChIInChI=1S/C14H23N3O/c1-12(14-11-15-8-9-17-14)18-10-4-6-13-5-2-3-7-16-13/h8-9,11-13,16H,2-7,10H2,1H3
InChIKeyNPBBNFWQRANISR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine

2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine (PubChem CID 71638052) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine.

Molecular Properties

Compound Name2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
PubChem CID71638052
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
SMILESCC(OCCCC1CCCCN1)c1cnccn1
InChIInChI=1S/C14H23N3O/c1-12(14-11-15-8-9-17-14)18-10-4-6-13-5-2-3-7-16-13/h8-9,11-13,16H,2-7,10H2,1H3
InChIKeyNPBBNFWQRANISR-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
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-[1-(2-piperidin-2-ylethoxy)ethyl]pyrazine
CID 71638016
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
CID 97162411
2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
CID 71637955
2-[(1R)-1-[[(2R)-pyrrolidin-2-yl]methoxy]ethyl]pyrazine
CID 97162438
2-[1-(3-piperidin-4-ylpropoxy)ethyl]pyrazine
CID 71638076
2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
CID 97178348
N-(piperidin-2-ylmethyl)-1-pyrazin-2-ylethanamine
CID 71637820
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546
(1S)-N-[[(2S)-piperidin-2-yl]methyl]-1-pyrazin-2-ylethanesulfonamide
CID 97162101
(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
CID 97162570
2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
CID 71638047
2-[3-[1-(furan-2-yl)ethoxy]propyl]piperidine;hydrochloride
CID 71638045

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine?
The IUPAC name of 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine (CID 71638052) is 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine.
What is the SMILES notation for 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine?
The canonical SMILES for 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine is CC(OCCCC1CCCCN1)c1cnccn1.
What is the InChIKey of 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine?
The InChIKey is NPBBNFWQRANISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(14-11-15-8-9-17-14)18-10-4-6-13-5-2-3-7-16-13/h8-9,11-13,16H,2-7,10H2,1H3.
What are the key properties of 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine?
2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine has a molecular weight of 249.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-piperidin-2-ylpropoxy)ethyl]pyrazine is sourced from PubChem (CID 71638052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).