2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol

C14H27N3O — CID 165470380

IUPAC2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC3CCCCN3C2)CC1
InChIInChI=1S/C14H27N3O/c18-10-9-15-5-7-16(8-6-15)14-11-13-3-1-2-4-17(13)12-14/h13-14,18H,1-12H2
InChIKeyATDYVNBAPGEWBY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.22
Rot. Bonds3

About 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol

2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol (PubChem CID 165470380) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol
PubChem CID165470380
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2CC3CCCCN3C2)CC1
InChIInChI=1S/C14H27N3O/c18-10-9-15-5-7-16(8-6-15)14-11-13-3-1-2-4-17(13)12-14/h13-14,18H,1-12H2
InChIKeyATDYVNBAPGEWBY-UHFFFAOYSA-N
XLogP0.22
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol with MolForge

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Related Compounds

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CID 3708932
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CID 30327158
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
2-[4-(oxan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 103857800
2-[4-(1,1-dioxothiolan-3-yl)-1,4-diazepan-1-yl]ethanol
CID 63312824
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)ethanol
CID 67836758
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-ol
CID 103737930
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol (CID 165470380) is 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol is OCCN1CCN(C2CC3CCCCN3C2)CC1.
What is the InChIKey of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is ATDYVNBAPGEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c18-10-9-15-5-7-16(8-6-15)14-11-13-3-1-2-4-17(13)12-14/h13-14,18H,1-12H2.
What are the key properties of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol?
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 253.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 165470380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).