1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol

C10H21NO5 — CID 75069816

IUPAC1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
SMILESCCCCN1C(O)C(O)C(O)C(O)C1CO
InChIInChI=1S/C10H21NO5/c1-2-3-4-11-6(5-12)7(13)8(14)9(15)10(11)16/h6-10,12-16H,2-5H2,1H3
InChIKeyJNYIOZRCMYRRED-UHFFFAOYSA-N
MW235.28 g/mol
LogP-2.14
Rot. Bonds4

About 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol

1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol (PubChem CID 75069816) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol.

Molecular Properties

Compound Name1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
PubChem CID75069816
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol
SMILESCCCCN1C(O)C(O)C(O)C(O)C1CO
InChIInChI=1S/C10H21NO5/c1-2-3-4-11-6(5-12)7(13)8(14)9(15)10(11)16/h6-10,12-16H,2-5H2,1H3
InChIKeyJNYIOZRCMYRRED-UHFFFAOYSA-N
XLogP-2.14
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol?
The IUPAC name of 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol (CID 75069816) is 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol.
What is the SMILES notation for 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol?
The canonical SMILES for 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol is CCCCN1C(O)C(O)C(O)C(O)C1CO.
What is the InChIKey of 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol?
The InChIKey is JNYIOZRCMYRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-2-3-4-11-6(5-12)7(13)8(14)9(15)10(11)16/h6-10,12-16H,2-5H2,1H3.
What are the key properties of 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol?
1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol has a molecular weight of 235.28 g/mol, XLogP of -2.14, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol is sourced from PubChem (CID 75069816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).