2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

C17H33N3O — CID 62384679

IUPAC2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESNCC(C1CCOCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c18-14-17(15-6-12-21-13-7-15)20-10-4-16(5-11-20)19-8-2-1-3-9-19/h15-17H,1-14,18H2
InChIKeyVYDCYNNEHDUIQR-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.69
Rot. Bonds4

About 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (PubChem CID 62384679) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
PubChem CID62384679
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESNCC(C1CCOCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c18-14-17(15-6-12-21-13-7-15)20-10-4-16(5-11-20)19-8-2-1-3-9-19/h15-17H,1-14,18H2
InChIKeyVYDCYNNEHDUIQR-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63169631
2-cyclopentyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171954
2-(oxolan-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 82835820
2-(4-butan-2-ylpiperazin-1-yl)-2-(oxan-4-yl)ethanamine
CID 62775186
2-cyclopentyl-2-pyrrolidin-1-ylethanamine
CID 62071576
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62387025
ethyl 3-(oxan-4-yl)-3-piperidin-1-ylpropanoate
CID 64541395
2-(3-methylpyrrolidin-1-yl)-2-(oxolan-3-yl)ethanamine
CID 61222169
5-cyclononyl-1,5-oxazonane
CID 154308652
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(oxolan-2-yl)ethanamine
CID 82835938
2-amino-2-(oxan-4-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 120800008

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (CID 62384679) is 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is NCC(C1CCOCC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The InChIKey is VYDCYNNEHDUIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c18-14-17(15-6-12-21-13-7-15)20-10-4-16(5-11-20)19-8-2-1-3-9-19/h15-17H,1-14,18H2.
What are the key properties of 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine has a molecular weight of 295.47 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62384679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).