(2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol

C20H34N2O — CID 10710717

IUPAC(2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol
SMILESCCCC/C=C/C=C/CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@@H](N)CN1
InChIInChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)19(21)17-22-18/h5-8,12-15,18-20,22-23H,2-4,9-11,16-17,21H2,1H3/b6-5+,8-7+,13-12+,15-14+/t18-,19+,20-/m1/s1
InChIKeyOFSZNJWXVVKUPZ-QVYNGYPTSA-N
MW318.50 g/mol
LogP3.62
Rot. Bonds10

About (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol

(2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol (PubChem CID 10710717) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol
PubChem CID10710717
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name(2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol
SMILESCCCC/C=C/C=C/CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@@H](N)CN1
InChIInChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)19(21)17-22-18/h5-8,12-15,18-20,22-23H,2-4,9-11,16-17,21H2,1H3/b6-5+,8-7+,13-12+,15-14+/t18-,19+,20-/m1/s1
InChIKeyOFSZNJWXVVKUPZ-QVYNGYPTSA-N
XLogP3.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.62
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 (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol?
The IUPAC name of (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol (CID 10710717) is (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol.
What is the SMILES notation for (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol?
The canonical SMILES for (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol is CCCC/C=C/C=C/CCC/C=C/C=C/[C@@H]1C[C@@H](O)[C@@H](N)CN1.
What is the InChIKey of (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol?
The InChIKey is OFSZNJWXVVKUPZ-QVYNGYPTSA-N. The full InChI is InChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-20(23)19(21)17-22-18/h5-8,12-15,18-20,22-23H,2-4,9-11,16-17,21H2,1H3/b6-5+,8-7+,13-12+,15-14+/t18-,19+,20-/m1/s1.
What are the key properties of (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol?
(2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol has a molecular weight of 318.50 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-5-amino-2-[(1E,3E,8E,10E)-pentadeca-1,3,8,10-tetraenyl]piperidin-4-ol is sourced from PubChem (CID 10710717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).