4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol

C14H22N2O — CID 123561838

IUPAC4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol
SMILESCN(C)N1CCC(O)(C2=CC=CCC=C2)CC1
InChIInChI=1S/C14H22N2O/c1-15(2)16-11-9-14(17,10-12-16)13-7-5-3-4-6-8-13/h3,5-8,17H,4,9-12H2,1-2H3
InChIKeyPJNPXYYEVITZGG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds2

About 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol

4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol (PubChem CID 123561838) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol.

Molecular Properties

Compound Name4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol
PubChem CID123561838
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol
SMILESCN(C)N1CCC(O)(C2=CC=CCC=C2)CC1
InChIInChI=1S/C14H22N2O/c1-15(2)16-11-9-14(17,10-12-16)13-7-5-3-4-6-8-13/h3,5-8,17H,4,9-12H2,1-2H3
InChIKeyPJNPXYYEVITZGG-UHFFFAOYSA-N
XLogP1.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335
4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-ol
CID 118327377
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
CID 134365800
4-(3-Methylcyclohexa-1,5-dien-1-yl)-1-methylsulfanylpiperidin-4-ol
CID 134505997
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
4-Cyclohepta-1,3,4,6-tetraen-1-yl-1-methylpiperidin-4-ol
CID 141855149
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-4-ol
CID 141862524

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol?
The IUPAC name of 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol (CID 123561838) is 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol.
What is the SMILES notation for 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol?
The canonical SMILES for 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol is CN(C)N1CCC(O)(C2=CC=CCC=C2)CC1.
What is the InChIKey of 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol?
The InChIKey is PJNPXYYEVITZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)16-11-9-14(17,10-12-16)13-7-5-3-4-6-8-13/h3,5-8,17H,4,9-12H2,1-2H3.
What are the key properties of 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol?
4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol is sourced from PubChem (CID 123561838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).