[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol

C14H21N3O — CID 105066917

IUPAC[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCN2CCCCC2C1
InChIInChI=1S/C14H21N3O/c18-11-12-4-5-15-9-14(12)17-8-7-16-6-2-1-3-13(16)10-17/h4-5,9,13,18H,1-3,6-8,10-11H2
InChIKeyIDPZXXIBLRRWAI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds2

About [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol

[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol (PubChem CID 105066917) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
PubChem CID105066917
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCN2CCCCC2C1
InChIInChI=1S/C14H21N3O/c18-11-12-4-5-15-9-14(12)17-8-7-16-6-2-1-3-13(16)10-17/h4-5,9,13,18H,1-3,6-8,10-11H2
InChIKeyIDPZXXIBLRRWAI-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol with MolForge

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Related Compounds

[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940469
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
CID 90205773
[3-(3,4-dimethylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105066909
[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methanol
CID 105066787
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitrophenyl]methanol
CID 79918815
N-methyl-1-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248115
[2-(4-cyclopentylpiperazin-1-yl)phenyl]methanol
CID 62369445
N-methyl-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81247363
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081

Frequently Asked Questions

What is the IUPAC name of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol (CID 105066917) is [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol is OCc1ccncc1N1CCN2CCCCC2C1.
What is the InChIKey of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol?
The InChIKey is IDPZXXIBLRRWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-11-12-4-5-15-9-14(12)17-8-7-16-6-2-1-3-13(16)10-17/h4-5,9,13,18H,1-3,6-8,10-11H2.
What are the key properties of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol?
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105066917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).