(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol

C14H21N3O — CID 83131405

IUPAC(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCN3CCCC3C2)cn1
InChIInChI=1S/C14H21N3O/c1-11(18)14-5-4-12(9-15-14)17-8-7-16-6-2-3-13(16)10-17/h4-5,9,11,13,18H,2-3,6-8,10H2,1H3/t11-,13?/m0/s1
InChIKeyCDSJFWWVOFYUIK-AMGKYWFPSA-N
MW247.34 g/mol
LogP1.42
Rot. Bonds2

About (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol

(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol (PubChem CID 83131405) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
PubChem CID83131405
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCN3CCCC3C2)cn1
InChIInChI=1S/C14H21N3O/c1-11(18)14-5-4-12(9-15-14)17-8-7-16-6-2-3-13(16)10-17/h4-5,9,11,13,18H,2-3,6-8,10H2,1H3/t11-,13?/m0/s1
InChIKeyCDSJFWWVOFYUIK-AMGKYWFPSA-N
XLogP1.42
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]ethanol
CID 83132328
1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83109204
(1R)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79934675
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
2-[6-(1-hydroxyethyl)-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 83131578
2-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 83131663
1-[6-(1-hydroxyethyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959859
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
(1R)-1-[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]ethanamine
CID 83122006
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
1-[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-pyridinyl]propan-1-one
CID 115938998
1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 137407156

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol (CID 83131405) is (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol is C[C@H](O)c1ccc(N2CCN3CCCC3C2)cn1.
What is the InChIKey of (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol?
The InChIKey is CDSJFWWVOFYUIK-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(18)14-5-4-12(9-15-14)17-8-7-16-6-2-3-13(16)10-17/h4-5,9,11,13,18H,2-3,6-8,10H2,1H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol?
(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol has a molecular weight of 247.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83131405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).