4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol

C23H27NO — CID 1381676

IUPAC4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol
SMILESCC(C)(C#CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H27NO/c1-22(2,24-18-10-5-11-19-24)16-17-23(25,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,25H,5,10-11,18-19H2,1-2H3
InChIKeyQSCFTSNMHZWOCY-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.19
Rot. Bonds3

About 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol

4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol (PubChem CID 1381676) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol.

Molecular Properties

Compound Name4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol
PubChem CID1381676
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol
SMILESCC(C)(C#CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H27NO/c1-22(2,24-18-10-5-11-19-24)16-17-23(25,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,25H,5,10-11,18-19H2,1-2H3
InChIKeyQSCFTSNMHZWOCY-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.19
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-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol?
The IUPAC name of 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol (CID 1381676) is 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol.
What is the SMILES notation for 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol?
The canonical SMILES for 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol is CC(C)(C#CC(O)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol?
The InChIKey is QSCFTSNMHZWOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-22(2,24-18-10-5-11-19-24)16-17-23(25,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,25H,5,10-11,18-19H2,1-2H3.
What are the key properties of 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol?
4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol has a molecular weight of 333.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-diphenyl-4-piperidin-1-ylpent-2-yn-1-ol is sourced from PubChem (CID 1381676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).