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

C17H27N3 — CID 103959029

IUPAC(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCN2CCCCC2C1
InChIInChI=1S/C17H27N3/c1-2-16(18)15-8-3-4-9-17(15)20-12-11-19-10-6-5-7-14(19)13-20/h3-4,8-9,14,16H,2,5-7,10-13,18H2,1H3/t14?,16-/m1/s1
InChIKeyOAOBOJHPOONBFB-BZSJEYESSA-N
MW273.42 g/mol
LogP2.77
Rot. Bonds3

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

(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine (PubChem CID 103959029) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
PubChem CID103959029
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCN2CCCCC2C1
InChIInChI=1S/C17H27N3/c1-2-16(18)15-8-3-4-9-17(15)20-12-11-19-10-6-5-7-14(19)13-20/h3-4,8-9,14,16H,2,5-7,10-13,18H2,1H3/t14?,16-/m1/s1
InChIKeyOAOBOJHPOONBFB-BZSJEYESSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1S)-1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959030
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-2-amine
CID 79924766
1-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 115995355
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103959095
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine (CID 103959029) is (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1N1CCN2CCCCC2C1.
What is the InChIKey of (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
The InChIKey is OAOBOJHPOONBFB-BZSJEYESSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-16(18)15-8-3-4-9-17(15)20-12-11-19-10-6-5-7-14(19)13-20/h3-4,8-9,14,16H,2,5-7,10-13,18H2,1H3/t14?,16-/m1/s1.
What are the key properties of (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine?
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine is sourced from PubChem (CID 103959029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).