4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol

C20H25NO — CID 3148591

IUPAC4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol
SMILESOC1(C#CCN2CCCCC2)c2ccccc2C2CCCC21
InChIInChI=1S/C20H25NO/c22-20(12-7-15-21-13-4-1-5-14-21)18-10-3-2-8-16(18)17-9-6-11-19(17)20/h2-3,8,10,17,19,22H,1,4-6,9,11,13-15H2
InChIKeyWTAZDFHOPHONGU-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.26
Rot. Bonds1

About 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol

4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol (PubChem CID 3148591) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol.

Molecular Properties

Compound Name4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol
PubChem CID3148591
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol
SMILESOC1(C#CCN2CCCCC2)c2ccccc2C2CCCC21
InChIInChI=1S/C20H25NO/c22-20(12-7-15-21-13-4-1-5-14-21)18-10-3-2-8-16(18)17-9-6-11-19(17)20/h2-3,8,10,17,19,22H,1,4-6,9,11,13-15H2
InChIKeyWTAZDFHOPHONGU-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol?
The IUPAC name of 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol (CID 3148591) is 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol.
What is the SMILES notation for 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol?
The canonical SMILES for 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol is OC1(C#CCN2CCCCC2)c2ccccc2C2CCCC21.
What is the InChIKey of 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol?
The InChIKey is WTAZDFHOPHONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20(12-7-15-21-13-4-1-5-14-21)18-10-3-2-8-16(18)17-9-6-11-19(17)20/h2-3,8,10,17,19,22H,1,4-6,9,11,13-15H2.
What are the key properties of 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol?
4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol has a molecular weight of 295.43 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylprop-1-ynyl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-ol is sourced from PubChem (CID 3148591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).