1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol

C9H19NO4 — CID 70599182

IUPAC1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol
SMILESOCC(O)C1CCC(C(O)CO)NC1
InChIInChI=1S/C9H19NO4/c11-4-8(13)6-1-2-7(10-3-6)9(14)5-12/h6-14H,1-5H2
InChIKeyMSCWOPCYUAUPQF-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.94
Rot. Bonds4

About 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol

1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol (PubChem CID 70599182) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol
PubChem CID70599182
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol
SMILESOCC(O)C1CCC(C(O)CO)NC1
InChIInChI=1S/C9H19NO4/c11-4-8(13)6-1-2-7(10-3-6)9(14)5-12/h6-14H,1-5H2
InChIKeyMSCWOPCYUAUPQF-UHFFFAOYSA-N
XLogP-1.94
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol?
The IUPAC name of 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol (CID 70599182) is 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol?
The canonical SMILES for 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol is OCC(O)C1CCC(C(O)CO)NC1.
What is the InChIKey of 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol?
The InChIKey is MSCWOPCYUAUPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c11-4-8(13)6-1-2-7(10-3-6)9(14)5-12/h6-14H,1-5H2.
What are the key properties of 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol?
1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol has a molecular weight of 205.25 g/mol, XLogP of -1.94, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,2-dihydroxyethyl)piperidin-3-yl]ethane-1,2-diol is sourced from PubChem (CID 70599182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).