(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H22N2 — CID 86333935

IUPAC(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1
InChIInChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-16-10-11-17-9-5-4-8-15(17)13-16/h1-3,6-7,15H,4-5,8-13H2/t15-/m1/s1
InChIKeyIKNPRYWTPFSTAT-OAHLLOKOSA-N
MW230.36 g/mol
LogP2.36
Rot. Bonds2

About (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 86333935) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID86333935
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1
InChIInChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-16-10-11-17-9-5-4-8-15(17)13-16/h1-3,6-7,15H,4-5,8-13H2/t15-/m1/s1
InChIKeyIKNPRYWTPFSTAT-OAHLLOKOSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
(9aR)-2-[(1-benzylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 124607255
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]acetic acid
CID 105346116
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)benzenecarbothioamide
CID 79932866
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 79918391

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 86333935) is (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1.
What is the InChIKey of (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is IKNPRYWTPFSTAT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-16-10-11-17-9-5-4-8-15(17)13-16/h1-3,6-7,15H,4-5,8-13H2/t15-/m1/s1.
What are the key properties of (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 230.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 86333935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).