(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol

C20H25N3O — CID 6445527

IUPAC(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol
SMILESOC(/C=C/c1ccccc1)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N3O/c24-19(10-9-18-6-2-1-3-7-18)11-13-22-14-16-23(17-15-22)20-8-4-5-12-21-20/h1-10,12,19,24H,11,13-17H2/b10-9+
InChIKeyLDHFPUHSSYUQAA-MDZDMXLPSA-N
MW323.44 g/mol
LogP2.67
Rot. Bonds6

About (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol

(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol (PubChem CID 6445527) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol
PubChem CID6445527
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol
SMILESOC(/C=C/c1ccccc1)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N3O/c24-19(10-9-18-6-2-1-3-7-18)11-13-22-14-16-23(17-15-22)20-8-4-5-12-21-20/h1-10,12,19,24H,11,13-17H2/b10-9+
InChIKeyLDHFPUHSSYUQAA-MDZDMXLPSA-N
XLogP2.67
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol?
The IUPAC name of (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol (CID 6445527) is (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol.
What is the SMILES notation for (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol?
The canonical SMILES for (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol is OC(/C=C/c1ccccc1)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol?
The InChIKey is LDHFPUHSSYUQAA-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H25N3O/c24-19(10-9-18-6-2-1-3-7-18)11-13-22-14-16-23(17-15-22)20-8-4-5-12-21-20/h1-10,12,19,24H,11,13-17H2/b10-9+.
What are the key properties of (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol?
(E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol has a molecular weight of 323.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 6445527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).