4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol

C14H22N2O — CID 59007368

IUPAC4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C2=CCC3CNCC3=C2)CC1
InChIInChI=1S/C14H22N2O/c1-16-6-4-14(17,5-7-16)13-3-2-11-9-15-10-12(11)8-13/h3,8,11,15,17H,2,4-7,9-10H2,1H3
InChIKeyVMJUCJOIJQBIML-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.92
Rot. Bonds1

About 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol

4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol (PubChem CID 59007368) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol
PubChem CID59007368
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C2=CCC3CNCC3=C2)CC1
InChIInChI=1S/C14H22N2O/c1-16-6-4-14(17,5-7-16)13-3-2-11-9-15-10-12(11)8-13/h3,8,11,15,17H,2,4-7,9-10H2,1H3
InChIKeyVMJUCJOIJQBIML-UHFFFAOYSA-N
XLogP0.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol with MolForge

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Related Compounds

4-Phenylpiperidin-4-ol;tungsten
CID 59320739
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-4-ol
CID 141862524
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperidin-4-ol
CID 141862525
ethane;4-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-ol
CID 141884063
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol
CID 141943967
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol
CID 141944060
4-(3,5-Dimethylcyclohepta-1,4,6-trien-1-yl)piperidin-4-ol
CID 141950505
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-ol
CID 143443292
ethane;4-[(3E)-hexa-1,3-dien-3-yl]piperidin-4-ol
CID 143657914
4-Cyclohexa-1,5-dien-1-ylpiperidin-4-ol
CID 147256599
3-(1-methyl-2H-pyridin-4-yl)pyrrolidin-3-ol
CID 176137057
4-[(3Z)-penta-1,3-dien-3-yl]piperidin-4-ol
CID 177016385

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol (CID 59007368) is 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol is CN1CCC(O)(C2=CCC3CNCC3=C2)CC1.
What is the InChIKey of 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol?
The InChIKey is VMJUCJOIJQBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-6-4-14(17,5-7-16)13-3-2-11-9-15-10-12(11)8-13/h3,8,11,15,17H,2,4-7,9-10H2,1H3.
What are the key properties of 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol?
4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,7,7a-tetrahydro-1H-isoindol-5-yl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 59007368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).