(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol

C10H17NO — CID 15071617

IUPAC(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
SMILESC/C=C/C=C/[C@@H]1C[C@H](O)CCN1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,9-12H,6-8H2,1H3/b3-2+,5-4+/t9-,10-/m1/s1
InChIKeyHUJDEHIXVKEMDT-RQBJNGEXSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds2

About (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol

(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol (PubChem CID 15071617) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
PubChem CID15071617
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
SMILESC/C=C/C=C/[C@@H]1C[C@H](O)CCN1
InChIInChI=1S/C10H17NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,9-12H,6-8H2,1H3/b3-2+,5-4+/t9-,10-/m1/s1
InChIKeyHUJDEHIXVKEMDT-RQBJNGEXSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol?
The IUPAC name of (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol (CID 15071617) is (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol.
What is the SMILES notation for (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol?
The canonical SMILES for (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol is C/C=C/C=C/[C@@H]1C[C@H](O)CCN1.
What is the InChIKey of (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol?
The InChIKey is HUJDEHIXVKEMDT-RQBJNGEXSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,9-12H,6-8H2,1H3/b3-2+,5-4+/t9-,10-/m1/s1.
What are the key properties of (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol?
(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol has a molecular weight of 167.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol is sourced from PubChem (CID 15071617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).