1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine

C17H27N3 — CID 79924766

IUPAC1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCN2CCCCC2C1
InChIInChI=1S/C17H27N3/c1-14(18)12-15-6-2-3-8-17(15)20-11-10-19-9-5-4-7-16(19)13-20/h2-3,6,8,14,16H,4-5,7,9-13,18H2,1H3
InChIKeyHISYOXXVTXEVLG-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.25
Rot. Bonds3

About 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine

1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine (PubChem CID 79924766) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
PubChem CID79924766
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1N1CCN2CCCCC2C1
InChIInChI=1S/C17H27N3/c1-14(18)12-15-6-2-3-8-17(15)20-11-10-19-9-5-4-7-16(19)13-20/h2-3,6,8,14,16H,4-5,7,9-13,18H2,1H3
InChIKeyHISYOXXVTXEVLG-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-2-amine
CID 63817266
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
2-[2-(2-methoxyethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102908462
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
2-(2-iodophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929010
1-[2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55160329
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
2-(2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929866
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine (CID 79924766) is 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine is CC(N)Cc1ccccc1N1CCN2CCCCC2C1.
What is the InChIKey of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine?
The InChIKey is HISYOXXVTXEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(18)12-15-6-2-3-8-17(15)20-11-10-19-9-5-4-7-16(19)13-20/h2-3,6,8,14,16H,4-5,7,9-13,18H2,1H3.
What are the key properties of 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine?
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 79924766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).