1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol

C20H21NO — CID 69128866

IUPAC1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
SMILESOC(C#Cc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H21NO/c22-20(18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)21-15-5-2-6-16-21/h1,3-4,7-10,12-13,20,22H,2,5-6,15-16H2
InChIKeyICMLUWFVPGZBCG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.76
Rot. Bonds2

About 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol

1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol (PubChem CID 69128866) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
PubChem CID69128866
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
SMILESOC(C#Cc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H21NO/c22-20(18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)21-15-5-2-6-16-21/h1,3-4,7-10,12-13,20,22H,2,5-6,15-16H2
InChIKeyICMLUWFVPGZBCG-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
1-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-3-phenylprop-2-yn-1-ol
CID 90918252
4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
CID 2840251
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethane;methanol;1-phenylpiperidine
CID 177175072
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
CID 102298173
2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320152
2-phenyl-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 82160408
carbamic acid;1-phenylpiperidine
CID 161473217

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol (CID 69128866) is 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol is OC(C#Cc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
The InChIKey is ICMLUWFVPGZBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-20(18-7-3-1-4-8-18)14-11-17-9-12-19(13-10-17)21-15-5-2-6-16-21/h1,3-4,7-10,12-13,20,22H,2,5-6,15-16H2.
What are the key properties of 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol has a molecular weight of 291.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 69128866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).