1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol

C19H20N2O — CID 86665810

IUPAC1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H20N2O/c1-2-19(22,16-6-4-3-5-7-16)17-8-10-18(11-9-17)21-14-12-20-13-15-21/h1,3-11,20,22H,12-15H2
InChIKeyPTLLWOBNQOQYRE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.97
Rot. Bonds3

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

1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol (PubChem CID 86665810) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol
PubChem CID86665810
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H20N2O/c1-2-19(22,16-6-4-3-5-7-16)17-8-10-18(11-9-17)21-14-12-20-13-15-21/h1,3-11,20,22H,12-15H2
InChIKeyPTLLWOBNQOQYRE-UHFFFAOYSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
1,1-bis(4-pyrrolidin-1-ylphenyl)prop-2-yn-1-ol
CID 15508570
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
CID 102246642
1-(4-phenoxyphenyl)piperazine
CID 3017356
1-(4-benzylphenyl)piperazine
CID 4738749
1-(4-morpholin-2-ylphenyl)-1-phenylprop-2-yn-1-ol
CID 175137002
aniline;1-phenylpiperazine
CID 175572624
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
1-phenyl-1-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-yn-1-ol
CID 20721534
2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine
CID 46779053
1-[4-(2-methylpentan-2-yl)phenyl]piperazine
CID 135207965

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol (CID 86665810) is 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol?
The InChIKey is PTLLWOBNQOQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-19(22,16-6-4-3-5-7-16)17-8-10-18(11-9-17)21-14-12-20-13-15-21/h1,3-11,20,22H,12-15H2.
What are the key properties of 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol?
1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol has a molecular weight of 292.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 86665810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).