(2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol

C18H34N2O — CID 10424557

IUPAC(2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol
SMILESCCCC/C=C/C=C/CCCCC[C@@H]1C[C@H](O)[C@H](N)CN1
InChIInChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h5-8,16-18,20-21H,2-4,9-15,19H2,1H3/b6-5+,8-7+/t16-,17-,18+/m1/s1
InChIKeyACYWLYLTIGBFNS-YHOZXLMLSA-N
MW294.48 g/mol
LogP3.29
Rot. Bonds10

About (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol

(2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol (PubChem CID 10424557) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol
PubChem CID10424557
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name(2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol
SMILESCCCC/C=C/C=C/CCCCC[C@@H]1C[C@H](O)[C@H](N)CN1
InChIInChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h5-8,16-18,20-21H,2-4,9-15,19H2,1H3/b6-5+,8-7+/t16-,17-,18+/m1/s1
InChIKeyACYWLYLTIGBFNS-YHOZXLMLSA-N
XLogP3.29
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol?
The IUPAC name of (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol (CID 10424557) is (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol.
What is the SMILES notation for (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol?
The canonical SMILES for (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol is CCCC/C=C/C=C/CCCCC[C@@H]1C[C@H](O)[C@H](N)CN1.
What is the InChIKey of (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol?
The InChIKey is ACYWLYLTIGBFNS-YHOZXLMLSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h5-8,16-18,20-21H,2-4,9-15,19H2,1H3/b6-5+,8-7+/t16-,17-,18+/m1/s1.
What are the key properties of (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol?
(2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol has a molecular weight of 294.48 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-amino-2-[(6E,8E)-trideca-6,8-dienyl]piperidin-4-ol is sourced from PubChem (CID 10424557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).