1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol

C17H27N3O — CID 79935803

IUPAC1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
SMILESCC1CN2CCCC2CN1CC(O)(CN)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-10-19-9-5-8-16(19)11-20(14)13-17(21,12-18)15-6-3-2-4-7-15/h2-4,6-7,14,16,21H,5,8-13,18H2,1H3
InChIKeyZLIRDCLGVVRIJK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.00
Rot. Bonds4

About 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol

1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol (PubChem CID 79935803) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
PubChem CID79935803
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
SMILESCC1CN2CCCC2CN1CC(O)(CN)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-10-19-9-5-8-16(19)11-20(14)13-17(21,12-18)15-6-3-2-4-7-15/h2-4,6-7,14,16,21H,5,8-13,18H2,1H3
InChIKeyZLIRDCLGVVRIJK-UHFFFAOYSA-N
XLogP1.00
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentan-3-ol
CID 115919455
1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 64821785
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
3-methyl-2-(3-phenylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939714
3,3-dimethyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-amine
CID 79945732
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-phenylpropan-2-amine
CID 63151512
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropanimidamide
CID 79928340
[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
CID 81314851
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]aniline
CID 79945632
(3R)-3-methyl-2-[(5-phenyl-2H-triazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211314

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol (CID 79935803) is 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol is CC1CN2CCCC2CN1CC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
The InChIKey is ZLIRDCLGVVRIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-10-19-9-5-8-16(19)11-20(14)13-17(21,12-18)15-6-3-2-4-7-15/h2-4,6-7,14,16,21H,5,8-13,18H2,1H3.
What are the key properties of 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol?
1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 79935803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).