1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol

C8H17NO5 — CID 139788929

IUPAC1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCCN1CC(O)C(O)C(O)(CO)C1
InChIInChI=1S/C8H17NO5/c10-2-1-9-3-6(12)7(13)8(14,4-9)5-11/h6-7,10-14H,1-5H2
InChIKeyDTLVMWHYZQZVAO-UHFFFAOYSA-N
MW207.23 g/mol
LogP-3.26
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol

1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 139788929) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID139788929
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Name1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOCCN1CC(O)C(O)C(O)(CO)C1
InChIInChI=1S/C8H17NO5/c10-2-1-9-3-6(12)7(13)8(14,4-9)5-11/h6-7,10-14H,1-5H2
InChIKeyDTLVMWHYZQZVAO-UHFFFAOYSA-N
XLogP-3.26
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-3.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol (CID 139788929) is 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol is OCCN1CC(O)C(O)C(O)(CO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is DTLVMWHYZQZVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)7(13)8(14,4-9)5-11/h6-7,10-14H,1-5H2.
What are the key properties of 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol?
1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 207.23 g/mol, XLogP of -3.26, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 139788929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).