4-hexa-1,3,5-trien-3-ylpiperidin-3-ol

C11H17NO — CID 123244966

IUPAC4-hexa-1,3,5-trien-3-ylpiperidin-3-ol
SMILESC=CC=C(C=C)C1CCNCC1O
InChIInChI=1S/C11H17NO/c1-3-5-9(4-2)10-6-7-12-8-11(10)13/h3-5,10-13H,1-2,6-8H2
InChIKeyKBTULTVWAPHREM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.26
Rot. Bonds3

About 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol

4-hexa-1,3,5-trien-3-ylpiperidin-3-ol (PubChem CID 123244966) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol.

Molecular Properties

Compound Name4-hexa-1,3,5-trien-3-ylpiperidin-3-ol
PubChem CID123244966
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-hexa-1,3,5-trien-3-ylpiperidin-3-ol
SMILESC=CC=C(C=C)C1CCNCC1O
InChIInChI=1S/C11H17NO/c1-3-5-9(4-2)10-6-7-12-8-11(10)13/h3-5,10-13H,1-2,6-8H2
InChIKeyKBTULTVWAPHREM-UHFFFAOYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.26
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

(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 142015597
4-Cyclohexa-1,5-dien-1-yl-1-phosphanylpiperidin-3-ol
CID 20677458
[(3E,4S)-3-ethylidenepiperidin-4-yl]methanol
CID 68026897
(2S,6S)-2-methyl-6-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213104
(2R,6S)-2-methyl-6-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213114
1-Cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 70183050
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
(3-Ethylidenepiperidin-4-yl)methanol
CID 77395353
(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol
CID 88863692
(3R,4R,5S)-5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine-3,4-diol
CID 88960491

Frequently Asked Questions

What is the IUPAC name of 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol?
The IUPAC name of 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol (CID 123244966) is 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol.
What is the SMILES notation for 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol?
The canonical SMILES for 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol is C=CC=C(C=C)C1CCNCC1O.
What is the InChIKey of 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol?
The InChIKey is KBTULTVWAPHREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-9(4-2)10-6-7-12-8-11(10)13/h3-5,10-13H,1-2,6-8H2.
What are the key properties of 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol?
4-hexa-1,3,5-trien-3-ylpiperidin-3-ol has a molecular weight of 179.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-1,3,5-trien-3-ylpiperidin-3-ol is sourced from PubChem (CID 123244966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).