(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol

C9H19NO3 — CID 67509469

IUPAC(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol
SMILESCCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C9H19NO3/c1-2-3-10-4-7(6-11)9(13)8(12)5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyVURPXSSEBVGWQX-IWSPIJDZSA-N
MW189.25 g/mol
LogP-0.96
Rot. Bonds3

About (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol

(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol (PubChem CID 67509469) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol
PubChem CID67509469
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol
SMILESCCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C9H19NO3/c1-2-3-10-4-7(6-11)9(13)8(12)5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyVURPXSSEBVGWQX-IWSPIJDZSA-N
XLogP-0.96
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol?
The IUPAC name of (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol (CID 67509469) is (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol is CCCN1C[C@H](CO)[C@@H](O)[C@H](O)C1.
What is the InChIKey of (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol?
The InChIKey is VURPXSSEBVGWQX-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-10-4-7(6-11)9(13)8(12)5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol?
(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol is sourced from PubChem (CID 67509469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).