1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol

C25H24N2O — CID 170985732

IUPAC1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N2O/c1-2-25(28,21-9-5-3-6-10-21)22-13-15-24(16-14-22)27-19-17-26(18-20-27)23-11-7-4-8-12-23/h1,3-16,28H,17-20H2
InChIKeyIYDAHFRSOZBCMX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.88
Rot. Bonds4

About 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol

1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol (PubChem CID 170985732) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
PubChem CID170985732
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N2O/c1-2-25(28,21-9-5-3-6-10-21)22-13-15-24(16-14-22)27-19-17-26(18-20-27)23-11-7-4-8-12-23/h1,3-16,28H,17-20H2
InChIKeyIYDAHFRSOZBCMX-UHFFFAOYSA-N
XLogP3.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol (CID 170985732) is 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol?
The InChIKey is IYDAHFRSOZBCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-2-25(28,21-9-5-3-6-10-21)22-13-15-24(16-14-22)27-19-17-26(18-20-27)23-11-7-4-8-12-23/h1,3-16,28H,17-20H2.
What are the key properties of 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol?
1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol has a molecular weight of 368.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 170985732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).