2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine

C14H21N3 — CID 54124043

IUPAC2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
SMILESC1=CC2=CN(CCC3CCNCC3)C=CN2C1
InChIInChI=1S/C14H21N3/c1-2-14-12-16(10-11-17(14)8-1)9-5-13-3-6-15-7-4-13/h1-2,10-13,15H,3-9H2
InChIKeyNPSIREQZVBUXCA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.88
Rot. Bonds3

About 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine

2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine (PubChem CID 54124043) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
PubChem CID54124043
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
SMILESC1=CC2=CN(CCC3CCNCC3)C=CN2C1
InChIInChI=1S/C14H21N3/c1-2-14-12-16(10-11-17(14)8-1)9-5-13-3-6-15-7-4-13/h1-2,10-13,15H,3-9H2
InChIKeyNPSIREQZVBUXCA-UHFFFAOYSA-N
XLogP1.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten
CID 59886375
4-Piperidin-1-yl-1,2-dihydropyridine
CID 86340256
(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine
CID 88978669
(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine
CID 89034874
(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine
CID 89034875
(1Z,3E)-3-(2,8-diazaspiro[4.5]decan-2-yl)hexa-1,3,5-trien-1-amine
CID 89034932
(3Z)-5-[4-(piperidin-1-ylmethyl)piperidin-1-yl]hexa-1,3,5-trien-2-amine
CID 89574213
5-(4-Propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine
CID 118969980
(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
CID 135279711
1-(piperidin-4-ylmethyl)-2H-pyridine
CID 141002026
1-(2-piperidin-4-ylethyl)-2H-pyridine
CID 141096626

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine (CID 54124043) is 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine is C1=CC2=CN(CCC3CCNCC3)C=CN2C1.
What is the InChIKey of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
The InChIKey is NPSIREQZVBUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-14-12-16(10-11-17(14)8-1)9-5-13-3-6-15-7-4-13/h1-2,10-13,15H,3-9H2.
What are the key properties of 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine?
2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine has a molecular weight of 231.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 54124043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).