3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol

C22H25NO — CID 3790624

IUPAC3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
SMILESCC1CCN(C)CC1C#CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-18-14-16-23(2)17-19(18)13-15-22(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,24H,14,16-17H2,1-2H3
InChIKeyBFXRASMNEAQTBE-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.51
Rot. Bonds2

About 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol

3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol (PubChem CID 3790624) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
PubChem CID3790624
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol
SMILESCC1CCN(C)CC1C#CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO/c1-18-14-16-23(2)17-19(18)13-15-22(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,24H,14,16-17H2,1-2H3
InChIKeyBFXRASMNEAQTBE-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.51
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 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol?
The IUPAC name of 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol (CID 3790624) is 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol.
What is the SMILES notation for 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol?
The canonical SMILES for 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol is CC1CCN(C)CC1C#CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol?
The InChIKey is BFXRASMNEAQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-18-14-16-23(2)17-19(18)13-15-22(24,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,24H,14,16-17H2,1-2H3.
What are the key properties of 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol?
3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol has a molecular weight of 319.45 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylpiperidin-3-yl)-1,1-diphenylprop-2-yn-1-ol is sourced from PubChem (CID 3790624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).