(3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol

C9H17NO3 — CID 122657822

IUPAC(3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol
SMILESC=CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C9H17NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h2,6-13H,1,3-5H2/t6-,7+,8+,9+/m0/s1
InChIKeyVOECESLQHGZIMA-JQCXWYLXSA-N
MW187.24 g/mol
LogP-1.14
Rot. Bonds3

About (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol

(3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol (PubChem CID 122657822) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol
PubChem CID122657822
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol
SMILESC=CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C9H17NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h2,6-13H,1,3-5H2/t6-,7+,8+,9+/m0/s1
InChIKeyVOECESLQHGZIMA-JQCXWYLXSA-N
XLogP-1.14
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol?
The IUPAC name of (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol (CID 122657822) is (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol is C=CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol?
The InChIKey is VOECESLQHGZIMA-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-7-6(5-11)9(13)8(12)4-10-7/h2,6-13H,1,3-5H2/t6-,7+,8+,9+/m0/s1.
What are the key properties of (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol?
(3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol has a molecular weight of 187.24 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-5-(hydroxymethyl)-6-prop-2-enylpiperidine-3,4-diol is sourced from PubChem (CID 122657822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).