2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol

C16H32N2O3 — CID 82685205

IUPAC2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol
SMILESCC1(C)OC(C)(C)C(CN2CCC(OCCO)CC2)C1N
InChIInChI=1S/C16H32N2O3/c1-15(2)13(14(17)16(3,4)21-15)11-18-7-5-12(6-8-18)20-10-9-19/h12-14,19H,5-11,17H2,1-4H3
InChIKeyJVGGMWAXPSVOJH-UHFFFAOYSA-N
MW300.44 g/mol
LogP0.99
Rot. Bonds5

About 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 82685205) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol
PubChem CID82685205
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol
SMILESCC1(C)OC(C)(C)C(CN2CCC(OCCO)CC2)C1N
InChIInChI=1S/C16H32N2O3/c1-15(2)13(14(17)16(3,4)21-15)11-18-7-5-12(6-8-18)20-10-9-19/h12-14,19H,5-11,17H2,1-4H3
InChIKeyJVGGMWAXPSVOJH-UHFFFAOYSA-N
XLogP0.99
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol (CID 82685205) is 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol is CC1(C)OC(C)(C)C(CN2CCC(OCCO)CC2)C1N.
What is the InChIKey of 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is JVGGMWAXPSVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-15(2)13(14(17)16(3,4)21-15)11-18-7-5-12(6-8-18)20-10-9-19/h12-14,19H,5-11,17H2,1-4H3.
What are the key properties of 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 300.44 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-2,2,5,5-tetramethyloxolan-3-yl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82685205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).