3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine

C18H36N2O — CID 114620933

IUPAC3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
SMILESCCCNC1CCN(C2CC(C)(C)OC2(C)C)CC1CC
InChIInChI=1S/C18H36N2O/c1-7-10-19-15-9-11-20(13-14(15)8-2)16-12-17(3,4)21-18(16,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyZYSNGONVDIZTPU-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds5

About 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine

3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine (PubChem CID 114620933) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
PubChem CID114620933
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
SMILESCCCNC1CCN(C2CC(C)(C)OC2(C)C)CC1CC
InChIInChI=1S/C18H36N2O/c1-7-10-19-15-9-11-20(13-14(15)8-2)16-12-17(3,4)21-18(16,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyZYSNGONVDIZTPU-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]methyl]propan-1-amine
CID 114624087
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
CID 79926969
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-2-yl]methyl]propan-1-amine
CID 114624100
2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114506917
2-[1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-yl]ethanamine
CID 79926978
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 114507661
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 114507042
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677
3-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-ol
CID 114507604
4-(propylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114624346

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The IUPAC name of 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine (CID 114620933) is 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine is CCCNC1CCN(C2CC(C)(C)OC2(C)C)CC1CC.
What is the InChIKey of 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The InChIKey is ZYSNGONVDIZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-7-10-19-15-9-11-20(13-14(15)8-2)16-12-17(3,4)21-18(16,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine has a molecular weight of 296.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 114620933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).