4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol

C12H19NO — CID 142862574

IUPAC4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol
SMILESC/C=C\C=C/C=C/C1(O)CCNCC1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-12(14)8-10-13-11-9-12/h2-7,13-14H,8-11H2,1H3/b3-2-,5-4-,7-6+
InChIKeyPYTKKPKLRUMMMB-MUVPYGFYSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds3

About 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol

4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol (PubChem CID 142862574) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol
PubChem CID142862574
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol
SMILESC/C=C\C=C/C=C/C1(O)CCNCC1
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-12(14)8-10-13-11-9-12/h2-7,13-14H,8-11H2,1H3/b3-2-,5-4-,7-6+
InChIKeyPYTKKPKLRUMMMB-MUVPYGFYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(3,3-difluoroprop-1-enyl)piperidin-4-ol
CID 90418895
(E)-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 90447571
4-(4,4,4-Trifluorobut-1-enyl)piperidin-4-ol
CID 123163432
4-(3,3-Difluoroprop-1-enyl)piperidin-4-ol
CID 123968088
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
4-Phenylpiperidin-4-ol;tungsten
CID 59320739
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
4-(1,2-Dihydropyridin-6-yl)piperidin-4-ol
CID 69090803
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586
4-Penta-2,4-dien-2-ylpiperidin-4-ol
CID 123191311

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol?
The IUPAC name of 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol (CID 142862574) is 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol.
What is the SMILES notation for 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol?
The canonical SMILES for 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol is C/C=C\C=C/C=C/C1(O)CCNCC1.
What is the InChIKey of 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol?
The InChIKey is PYTKKPKLRUMMMB-MUVPYGFYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-7-12(14)8-10-13-11-9-12/h2-7,13-14H,8-11H2,1H3/b3-2-,5-4-,7-6+.
What are the key properties of 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol?
4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol has a molecular weight of 193.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]piperidin-4-ol is sourced from PubChem (CID 142862574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).