(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol

C12H19NO — CID 143689641

IUPAC(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol
SMILESC=C/C=C(\C(=C)O)C1CCN(C)CC1
InChIInChI=1S/C12H19NO/c1-4-5-12(10(2)14)11-6-8-13(3)9-7-11/h4-5,11,14H,1-2,6-9H2,3H3/b12-5+
InChIKeyJUQGZFJNHQIZNC-LFYBBSHMSA-N
MW193.29 g/mol
LogP2.51
Rot. Bonds3

About (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol

(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol (PubChem CID 143689641) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol
PubChem CID143689641
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol
SMILESC=C/C=C(\C(=C)O)C1CCN(C)CC1
InChIInChI=1S/C12H19NO/c1-4-5-12(10(2)14)11-6-8-13(3)9-7-11/h4-5,11,14H,1-2,6-9H2,3H3/b12-5+
InChIKeyJUQGZFJNHQIZNC-LFYBBSHMSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6,7-Dihydroxy-2,2-dimethyltetrahydroisoquinolinium iodide
CID 129678117
r-N-methyl-6,7-dihydroxy-tetrahydroisoquinoline
CID 129705423
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
7-ethyl-2-pentyl-3,4,4a,5-tetrahydro-1H-isoquinolin-6-ol
CID 68539267
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline-6,7-diol
CID 69719627
[5-[(4-Methylpiperazin-1-yl)methyl]cyclohexa-1,3-dien-1-yl]methanol
CID 123315161
(2Z,4E,6E)-1-(1-methylpiperidin-4-yl)octa-2,4,6-trien-4-ol
CID 129060034
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
6-methoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-7-ol
CID 140740893
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
4-(3,4-Dimethylcyclohexa-1,5-dien-1-yl)-1-methylpiperidin-4-ol
CID 141791942
ethane;4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 141848831

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol (CID 143689641) is (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol is C=C/C=C(\C(=C)O)C1CCN(C)CC1.
What is the InChIKey of (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol?
The InChIKey is JUQGZFJNHQIZNC-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-12(10(2)14)11-6-8-13(3)9-7-11/h4-5,11,14H,1-2,6-9H2,3H3/b12-5+.
What are the key properties of (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol?
(3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-methylpiperidin-4-yl)hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 143689641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).