(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

C15H22N2 — CID 162643595

IUPAC(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESCCCc1cccc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3/t13-/m1/s1
InChIKeyGJVPUHJMJVJTOE-CYBMUJFWSA-N
MW230.35 g/mol
LogP2.36
Rot. Bonds2

About (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline

(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (PubChem CID 162643595) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
PubChem CID162643595
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
SMILESCCCc1cccc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3/t13-/m1/s1
InChIKeyGJVPUHJMJVJTOE-CYBMUJFWSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The IUPAC name of (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline (CID 162643595) is (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline.
What is the SMILES notation for (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The canonical SMILES for (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is CCCc1cccc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
The InChIKey is GJVPUHJMJVJTOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-4-12-5-3-6-15-14(12)8-7-13-11-16-9-10-17(13)15/h3,5-6,13,16H,2,4,7-11H2,1H3/t13-/m1/s1.
What are the key properties of (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline?
(4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline has a molecular weight of 230.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-7-propyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline is sourced from PubChem (CID 162643595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).