(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol

C13H23NO — CID 89140271

IUPAC(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol
SMILESC=CCC(O)/C=C(\CC)C1CCNCC1
InChIInChI=1S/C13H23NO/c1-3-5-13(15)10-11(4-2)12-6-8-14-9-7-12/h3,10,12-15H,1,4-9H2,2H3/b11-10+
InChIKeyVRRRVSRXQUPGTI-ZHACJKMWSA-N
MW209.33 g/mol
LogP2.26
Rot. Bonds5

About (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol

(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol (PubChem CID 89140271) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol.

Molecular Properties

Compound Name(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol
PubChem CID89140271
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol
SMILESC=CCC(O)/C=C(\CC)C1CCNCC1
InChIInChI=1S/C13H23NO/c1-3-5-13(15)10-11(4-2)12-6-8-14-9-7-12/h3,10,12-15H,1,4-9H2,2H3/b11-10+
InChIKeyVRRRVSRXQUPGTI-ZHACJKMWSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol?
The IUPAC name of (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol (CID 89140271) is (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol.
What is the SMILES notation for (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol?
The canonical SMILES for (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol is C=CCC(O)/C=C(\CC)C1CCNCC1.
What is the InChIKey of (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol?
The InChIKey is VRRRVSRXQUPGTI-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-13(15)10-11(4-2)12-6-8-14-9-7-12/h3,10,12-15H,1,4-9H2,2H3/b11-10+.
What are the key properties of (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol?
(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-piperidin-4-ylocta-1,5-dien-4-ol is sourced from PubChem (CID 89140271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).