5-amino-2-trideca-6,8-dienylpiperidin-4-ol

C18H34N2O — CID 73097769

IUPAC5-amino-2-trideca-6,8-dienylpiperidin-4-ol
SMILESCCCCC=CC=CCCCCCC1CC(O)C(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
InChIKeyACYWLYLTIGBFNS-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.29
Rot. Bonds10

About 5-amino-2-trideca-6,8-dienylpiperidin-4-ol

5-amino-2-trideca-6,8-dienylpiperidin-4-ol (PubChem CID 73097769) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-amino-2-trideca-6,8-dienylpiperidin-4-ol.

Molecular Properties

Compound Name5-amino-2-trideca-6,8-dienylpiperidin-4-ol
PubChem CID73097769
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-amino-2-trideca-6,8-dienylpiperidin-4-ol
SMILESCCCCC=CC=CCCCCCC1CC(O)C(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
InChIKeyACYWLYLTIGBFNS-UHFFFAOYSA-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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CID 162893519
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CID 162893521

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-trideca-6,8-dienylpiperidin-4-ol?
The IUPAC name of 5-amino-2-trideca-6,8-dienylpiperidin-4-ol (CID 73097769) is 5-amino-2-trideca-6,8-dienylpiperidin-4-ol.
What is the SMILES notation for 5-amino-2-trideca-6,8-dienylpiperidin-4-ol?
The canonical SMILES for 5-amino-2-trideca-6,8-dienylpiperidin-4-ol is CCCCC=CC=CCCCCCC1CC(O)C(N)CN1.
What is the InChIKey of 5-amino-2-trideca-6,8-dienylpiperidin-4-ol?
The InChIKey is ACYWLYLTIGBFNS-UHFFFAOYSA-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.
What are the key properties of 5-amino-2-trideca-6,8-dienylpiperidin-4-ol?
5-amino-2-trideca-6,8-dienylpiperidin-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 5-amino-2-trideca-6,8-dienylpiperidin-4-ol is sourced from PubChem (CID 73097769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).