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

C15H29N3O — CID 112622061

IUPAC[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCN3CCCCC23)C(CN)C1
InChIInChI=1S/C15H29N3O/c1-19-13-5-9-18(12(10-13)11-16)15-6-8-17-7-3-2-4-14(15)17/h12-15H,2-11,16H2,1H3
InChIKeyHROLHHCYIGKDKM-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.05
Rot. Bonds3

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

[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622061) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622061
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(C2CCN3CCCCC23)C(CN)C1
InChIInChI=1S/C15H29N3O/c1-19-13-5-9-18(12(10-13)11-16)15-6-8-17-7-3-2-4-14(15)17/h12-15H,2-11,16H2,1H3
InChIKeyHROLHHCYIGKDKM-UHFFFAOYSA-N
XLogP1.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-methoxy-1-(2-methylcyclopentyl)piperidin-2-yl]methanamine
CID 112622011
[1-(2,2-dimethylcyclopentyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622099
[2-(4-methoxy-2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 114220788
[4-methoxy-1-(4-propan-2-ylcycloheptyl)piperidin-2-yl]methanamine
CID 115963117
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 115963785
2-(4-methoxypiperidin-1-yl)cyclododecan-1-amine
CID 43372793
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dimethylpiperidin-4-amine
CID 79408013
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
[1-(3-methoxycyclobutyl)pyrrolidin-2-yl]methanamine
CID 106823007

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine (CID 112622061) is [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(C2CCN3CCCCC23)C(CN)C1.
What is the InChIKey of [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is HROLHHCYIGKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-19-13-5-9-18(12(10-13)11-16)15-6-8-17-7-3-2-4-14(15)17/h12-15H,2-11,16H2,1H3.
What are the key properties of [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine?
[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 267.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).