2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol

C19H23N3O — CID 175001493

IUPAC2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(/C=C/c3ccncc3)cc2)CC1
InChIInChI=1S/C19H23N3O/c23-16-15-21-11-13-22(14-12-21)19-5-3-17(4-6-19)1-2-18-7-9-20-10-8-18/h1-10,23H,11-16H2/b2-1+
InChIKeyXBUBKARLHBKACB-OWOJBTEDSA-N
MW309.41 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol

2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol (PubChem CID 175001493) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol
PubChem CID175001493
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(/C=C/c3ccncc3)cc2)CC1
InChIInChI=1S/C19H23N3O/c23-16-15-21-11-13-22(14-12-21)19-5-3-17(4-6-19)1-2-18-7-9-20-10-8-18/h1-10,23H,11-16H2/b2-1+
InChIKeyXBUBKARLHBKACB-OWOJBTEDSA-N
XLogP2.37
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675
4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonic acid
CID 22147110
2-[4-(4-nitrosophenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 19099001
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 43501406
2-[4-[4-[2-(3-fluoro-5-pyridin-4-ylphenyl)ethenyl]phenyl]piperazin-1-yl]-2-oxoacetic acid
CID 154195180
(E)-3-[4-(azepan-1-yl)phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 9226718
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
(E)-1-pyridin-4-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 6108529
2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
CID 82346708
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol (CID 175001493) is 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(/C=C/c3ccncc3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol?
The InChIKey is XBUBKARLHBKACB-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H23N3O/c23-16-15-21-11-13-22(14-12-21)19-5-3-17(4-6-19)1-2-18-7-9-20-10-8-18/h1-10,23H,11-16H2/b2-1+.
What are the key properties of 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol?
2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol has a molecular weight of 309.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 175001493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).