3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol

C15H31NO5 — CID 54449044

IUPAC3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol
SMILESCC1(C)CC(OCC(O)CO)CC(C)(C)N1CC(O)CO
InChIInChI=1S/C15H31NO5/c1-14(2)5-13(21-10-12(20)9-18)6-15(3,4)16(14)7-11(19)8-17/h11-13,17-20H,5-10H2,1-4H3
InChIKeyWTPZGAXHLJVGDN-UHFFFAOYSA-N
MW305.42 g/mol
LogP-0.27
Rot. Bonds7

About 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol

3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol (PubChem CID 54449044) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol
PubChem CID54449044
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol
SMILESCC1(C)CC(OCC(O)CO)CC(C)(C)N1CC(O)CO
InChIInChI=1S/C15H31NO5/c1-14(2)5-13(21-10-12(20)9-18)6-15(3,4)16(14)7-11(19)8-17/h11-13,17-20H,5-10H2,1-4H3
InChIKeyWTPZGAXHLJVGDN-UHFFFAOYSA-N
XLogP-0.27
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol (CID 54449044) is 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol is CC1(C)CC(OCC(O)CO)CC(C)(C)N1CC(O)CO.
What is the InChIKey of 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol?
The InChIKey is WTPZGAXHLJVGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-14(2)5-13(21-10-12(20)9-18)6-15(3,4)16(14)7-11(19)8-17/h11-13,17-20H,5-10H2,1-4H3.
What are the key properties of 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol?
3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol has a molecular weight of 305.42 g/mol, XLogP of -0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroxypropoxy)-2,2,6,6-tetramethylpiperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 54449044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).