5-(hydroxymethyl)-6-propylpiperidine-3,4-diol

C9H19NO3 — CID 57340001

IUPAC5-(hydroxymethyl)-6-propylpiperidine-3,4-diol
SMILESCCCC1NCC(O)C(O)C1CO
InChIInChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3
InChIKeyDTUBZWJLYNQNGD-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.91
Rot. Bonds3

About 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol

5-(hydroxymethyl)-6-propylpiperidine-3,4-diol (PubChem CID 57340001) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-propylpiperidine-3,4-diol
PubChem CID57340001
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name5-(hydroxymethyl)-6-propylpiperidine-3,4-diol
SMILESCCCC1NCC(O)C(O)C1CO
InChIInChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3
InChIKeyDTUBZWJLYNQNGD-UHFFFAOYSA-N
XLogP-0.91
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol?
The IUPAC name of 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol (CID 57340001) is 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol.
What is the SMILES notation for 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol?
The canonical SMILES for 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol is CCCC1NCC(O)C(O)C1CO.
What is the InChIKey of 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol?
The InChIKey is DTUBZWJLYNQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h6-13H,2-5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol?
5-(hydroxymethyl)-6-propylpiperidine-3,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-propylpiperidine-3,4-diol is sourced from PubChem (CID 57340001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).