4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol

C18H27NO — CID 90902227

IUPAC4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol
SMILESC=CC(=CCC)N1CCC(O)(C2=CCC=CCC2)CC1
InChIInChI=1S/C18H27NO/c1-3-9-17(4-2)19-14-12-18(20,13-15-19)16-10-7-5-6-8-11-16/h4-6,9-10,20H,2-3,7-8,11-15H2,1H3
InChIKeyVBEZDPZBVSEMLO-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.96
Rot. Bonds4

About 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol

4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol (PubChem CID 90902227) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol
PubChem CID90902227
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol
SMILESC=CC(=CCC)N1CCC(O)(C2=CCC=CCC2)CC1
InChIInChI=1S/C18H27NO/c1-3-9-17(4-2)19-14-12-18(20,13-15-19)16-10-7-5-6-8-11-16/h4-6,9-10,20H,2-3,7-8,11-15H2,1H3
InChIKeyVBEZDPZBVSEMLO-UHFFFAOYSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-Dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol
CID 68745676
ethane;4-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methylpiperidin-4-ol
CID 141949905
4-Cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
CID 142096230
2-Cyclohexa-1,3-dien-1-yl-4-(dimethylamino)butan-2-ol
CID 144805027
1-[(5Z,7Z)-4,7-dimethyldeca-1,3,5,7-tetraen-5-yl]-4-methylpiperidin-4-ol
CID 174182571
4-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methylpiperidin-4-ol
CID 141949906
1-Methyl-4-(5-methylcyclohexa-1,3-dien-1-yl)piperidin-4-ol
CID 144112918
(2S)-4-[(3Z,5E)-deca-3,5-dien-8-yn-5-yl]-2-methyl-1-prop-2-enylpiperidin-4-ol
CID 168912848
1-[(2E,6E)-5-ethylnona-2,4,6-trien-2-yl]-4-methylpiperidin-4-ol
CID 177235048

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol?
The IUPAC name of 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol (CID 90902227) is 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol.
What is the SMILES notation for 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol?
The canonical SMILES for 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol is C=CC(=CCC)N1CCC(O)(C2=CCC=CCC2)CC1.
What is the InChIKey of 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol?
The InChIKey is VBEZDPZBVSEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-9-17(4-2)19-14-12-18(20,13-15-19)16-10-7-5-6-8-11-16/h4-6,9-10,20H,2-3,7-8,11-15H2,1H3.
What are the key properties of 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol?
4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol has a molecular weight of 273.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,4-dien-1-yl-1-hexa-1,3-dien-3-ylpiperidin-4-ol is sourced from PubChem (CID 90902227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).