2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine

C13H21N3O — CID 97178348

IUPAC2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
SMILESc1cnc(COCCC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C13H21N3O/c1-2-6-15-12(4-1)5-3-9-17-11-13-10-14-7-8-16-13/h7-8,10,12,15H,1-6,9,11H2/t12-/m0/s1
InChIKeyPATDPLMMRCEJPT-LBPRGKRZSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds6

About 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine

2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine (PubChem CID 97178348) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine.

Molecular Properties

Compound Name2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
PubChem CID97178348
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
SMILESc1cnc(COCCC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C13H21N3O/c1-2-6-15-12(4-1)5-3-9-17-11-13-10-14-7-8-16-13/h7-8,10,12,15H,1-6,9,11H2/t12-/m0/s1
InChIKeyPATDPLMMRCEJPT-LBPRGKRZSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
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-(3-piperidin-2-ylpropoxy)ethyl]pyrazine
CID 71638052
1,4,7,10-tetrakis(piperidin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane;1,4,7,10-tetrakis(pyrazin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 160643665
2-[1-(2-piperidin-2-ylethoxy)ethyl]pyrazine
CID 71638016
2-bromo-5-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyridine
CID 97178248
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
CID 97163934
2-(butoxymethyl)pyrazine
CID 54527818
tert-butyl 3-piperidin-2-ylpropanoate;tert-butyl 3-pyrazin-2-ylpropanoate
CID 161111058
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
CID 97163202
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine?
The IUPAC name of 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine (CID 97178348) is 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine.
What is the SMILES notation for 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine?
The canonical SMILES for 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine is c1cnc(COCCC[C@@H]2CCCCN2)cn1.
What is the InChIKey of 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine?
The InChIKey is PATDPLMMRCEJPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-6-15-12(4-1)5-3-9-17-11-13-10-14-7-8-16-13/h7-8,10,12,15H,1-6,9,11H2/t12-/m0/s1.
What are the key properties of 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine?
2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine is sourced from PubChem (CID 97178348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).