(E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one

C15H27NO3 — CID 11149885

IUPAC(E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one
SMILESCCCCC[C@@H](O)[C@@H](O)/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-5-8-13(17)14(18)9-10-15(19)16-11-6-4-7-12-16/h9-10,13-14,17-18H,2-8,11-12H2,1H3/b10-9+/t13-,14+/m1/s1
InChIKeyBFKPVZSEVYPLTK-HOQBHHMFSA-N
MW269.38 g/mol
LogP1.86
Rot. Bonds7

About (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one

(E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one (PubChem CID 11149885) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one.

Molecular Properties

Compound Name(E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one
PubChem CID11149885
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one
SMILESCCCCC[C@@H](O)[C@@H](O)/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-5-8-13(17)14(18)9-10-15(19)16-11-6-4-7-12-16/h9-10,13-14,17-18H,2-8,11-12H2,1H3/b10-9+/t13-,14+/m1/s1
InChIKeyBFKPVZSEVYPLTK-HOQBHHMFSA-N
XLogP1.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one?
The IUPAC name of (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one (CID 11149885) is (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one.
What is the SMILES notation for (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one?
The canonical SMILES for (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one is CCCCC[C@@H](O)[C@@H](O)/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one?
The InChIKey is BFKPVZSEVYPLTK-HOQBHHMFSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-5-8-13(17)14(18)9-10-15(19)16-11-6-4-7-12-16/h9-10,13-14,17-18H,2-8,11-12H2,1H3/b10-9+/t13-,14+/m1/s1.
What are the key properties of (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one?
(E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one has a molecular weight of 269.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5R)-4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one is sourced from PubChem (CID 11149885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).