2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine

C12H19N3O — CID 97178299

IUPAC2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
SMILESc1cnc(OCCC[C@H]2CCCNC2)cn1
InChIInChI=1S/C12H19N3O/c1-3-11(9-13-5-1)4-2-8-16-12-10-14-6-7-15-12/h6-7,10-11,13H,1-5,8-9H2/t11-/m1/s1
InChIKeyCRWHLXYBABPSLT-LLVKDONJSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds5

About 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine

2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine (PubChem CID 97178299) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine.

Molecular Properties

Compound Name2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
PubChem CID97178299
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
SMILESc1cnc(OCCC[C@H]2CCCNC2)cn1
InChIInChI=1S/C12H19N3O/c1-3-11(9-13-5-1)4-2-8-16-12-10-14-6-7-15-12/h6-7,10-11,13H,1-5,8-9H2/t11-/m1/s1
InChIKeyCRWHLXYBABPSLT-LLVKDONJSA-N
XLogP1.64
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 ≤ 51.64
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

4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
4-chloro-6-[3-[(3S)-piperidin-3-yl]propoxy]pyrimidine
CID 97163560
4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
CID 97163561
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546
2-[(3R)-piperidin-3-yl]oxypyrazine
CID 71637336
3-(2-piperidin-3-ylethoxy)pyridine;hydrochloride
CID 56830400
3-(2-piperidin-3-ylethoxy)pyridazine
CID 62483890
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
CID 97163874
2-(piperidin-4-ylmethoxy)pyrazine;hydrochloride
CID 71636924

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine?
The IUPAC name of 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine (CID 97178299) is 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine.
What is the SMILES notation for 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine?
The canonical SMILES for 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine is c1cnc(OCCC[C@H]2CCCNC2)cn1.
What is the InChIKey of 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine?
The InChIKey is CRWHLXYBABPSLT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-11(9-13-5-1)4-2-8-16-12-10-14-6-7-15-12/h6-7,10-11,13H,1-5,8-9H2/t11-/m1/s1.
What are the key properties of 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine?
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine has a molecular weight of 221.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine is sourced from PubChem (CID 97178299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).