4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol

C10H17NO — CID 177016385

IUPAC4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol
SMILESC=C/C(=C/C)C1(O)CCNCC1
InChIInChI=1S/C10H17NO/c1-3-9(4-2)10(12)5-7-11-8-6-10/h3-4,11-12H,1,5-8H2,2H3/b9-4-
InChIKeyMGVBKIZLTMSHAO-WTKPLQERSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds2

About 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol

4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol (PubChem CID 177016385) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol
PubChem CID177016385
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol
SMILESC=C/C(=C/C)C1(O)CCNCC1
InChIInChI=1S/C10H17NO/c1-3-9(4-2)10(12)5-7-11-8-6-10/h3-4,11-12H,1,5-8H2,2H3/b9-4-
InChIKeyMGVBKIZLTMSHAO-WTKPLQERSA-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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Related Compounds

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
4-[(3E)-4-[amino(difluoro)methyl]-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-ol
CID 143151017
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Phenylpiperidin-4-ol;yttrium
CID 58814120
4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol
CID 59007368
4-Phenylpiperidin-4-ol;tungsten
CID 59320739
(3S,5R)-4-cyclohexa-2,4-dien-1-yl-3,5-dimethylpiperidin-4-ol
CID 68311904
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
CID 88562294
4-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-4-ol
CID 89025215
4-[(E)-but-1-enyl]piperidin-4-ol
CID 117613586

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol?
The IUPAC name of 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol (CID 177016385) is 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol.
What is the SMILES notation for 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol?
The canonical SMILES for 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol is C=C/C(=C/C)C1(O)CCNCC1.
What is the InChIKey of 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol?
The InChIKey is MGVBKIZLTMSHAO-WTKPLQERSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9(4-2)10(12)5-7-11-8-6-10/h3-4,11-12H,1,5-8H2,2H3/b9-4-.
What are the key properties of 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol?
4-[(3Z)-penta-1,3-dien-3-yl]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 4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol is sourced from PubChem (CID 177016385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).