(3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol

C12H23NO3 — CID 122657802

IUPAC(3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol
SMILESC=CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C12H23NO3/c1-2-3-4-5-6-10-9(8-14)12(16)11(15)7-13-10/h2,9-16H,1,3-8H2/t9-,10+,11+,12-/m0/s1
InChIKeyBGVAOVCHHRDRPD-QCNOEVLYSA-N
MW229.32 g/mol
LogP0.03
Rot. Bonds6

About (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol

(3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 122657802) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID122657802
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol
SMILESC=CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C12H23NO3/c1-2-3-4-5-6-10-9(8-14)12(16)11(15)7-13-10/h2,9-16H,1,3-8H2/t9-,10+,11+,12-/m0/s1
InChIKeyBGVAOVCHHRDRPD-QCNOEVLYSA-N
XLogP0.03
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol (CID 122657802) is (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol is C=CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO.
What is the InChIKey of (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is BGVAOVCHHRDRPD-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-4-5-6-10-9(8-14)12(16)11(15)7-13-10/h2,9-16H,1,3-8H2/t9-,10+,11+,12-/m0/s1.
What are the key properties of (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 229.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-hex-5-enyl-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 122657802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).