(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

C14H20N2 — CID 126622795

IUPAC(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESc1ccc([C@@H]2CCN3CCNC[C@@H]3C2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-12(5-3-1)13-6-8-16-9-7-15-11-14(16)10-13/h1-5,13-15H,6-11H2/t13-,14+/m1/s1
InChIKeyDWNSHFMFTBCZFZ-KGLIPLIRSA-N
MW216.33 g/mol
LogP1.84
Rot. Bonds1

About (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 126622795) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID126622795
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
SMILESc1ccc([C@@H]2CCN3CCNC[C@@H]3C2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-12(5-3-1)13-6-8-16-9-7-15-11-14(16)10-13/h1-5,13-15H,6-11H2/t13-,14+/m1/s1
InChIKeyDWNSHFMFTBCZFZ-KGLIPLIRSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine with MolForge

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Related Compounds

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CID 53347254
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CID 163210314
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
CID 102020253
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ethane;3-phenylpyrrolidine
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(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 13457898
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
CID 81458806
1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949

Frequently Asked Questions

What is the IUPAC name of (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine (CID 126622795) is (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is c1ccc([C@@H]2CCN3CCNC[C@@H]3C2)cc1.
What is the InChIKey of (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is DWNSHFMFTBCZFZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-4-12(5-3-1)13-6-8-16-9-7-15-11-14(16)10-13/h1-5,13-15H,6-11H2/t13-,14+/m1/s1.
What are the key properties of (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine?
(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 216.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 126622795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).