(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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Related Compounds

7-(3-Fluoropropyl)-1,2,3,4,6,7-hexahydroisoquinolin-6-ol
CID 166718975
5-(Methylaminomethyl)cyclohex-2-en-1-ol
CID 14737758
3-(1-Propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
CID 54344402
(E,5S)-2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)hept-2-en-1-ol
CID 68213288
(2E)-2-ethenyl-1-piperidin-3-ylpenta-2,4-dien-1-ol
CID 88267971
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
1-Cyclopropyl-3-ethenyl-6-(piperidin-4-ylidenemethyl)octa-3,5-dien-2-ol
CID 124020808
5-[2-[2-(4-Hydroxy-5-methylcyclohexa-2,4-dien-1-yl)ethylamino]ethyl]cyclohexa-3,5-diene-1,3-diol
CID 134534540
(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol
CID 141254532
4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol
CID 142135233
(Z)-2-methyl-3-piperidin-4-ylprop-2-en-1-ol
CID 142325174
(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene
CID 143401992

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).