1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one

C19H19ClN2O2 — CID 118982365

IUPAC1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(O)ccc3Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O2/c1-2-19(24)22-11-9-21(10-12-22)15-5-3-14(4-6-15)17-13-16(23)7-8-18(17)20/h2-8,13,23H,1,9-12H2
InChIKeyCNUWTLLTENOWIR-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.55
Rot. Bonds3

About 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one

1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 118982365) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one
PubChem CID118982365
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(O)ccc3Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O2/c1-2-19(24)22-11-9-21(10-12-22)15-5-3-14(4-6-15)17-13-16(23)7-8-18(17)20/h2-8,13,23H,1,9-12H2
InChIKeyCNUWTLLTENOWIR-UHFFFAOYSA-N
XLogP3.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-chlorophenyl)-4-hydroxybenzoyl]piperazin-1-yl]prop-2-en-1-one
CID 121378032
1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625
2-chloro-4-fluoro-N-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]benzamide
CID 172888663
(4-chloro-3-methylsulfonylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777646
4-chloro-2-fluoro-N-[[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 172887258
4-(2-chloro-4-piperidin-1-ylphenyl)phenol
CID 152999471
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 172887332
(E)-4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 6296932
3-[4-chloro-5-(4-chlorophenyl)-2-methoxyphenyl]-1-(4-prop-2-enoylpiperazin-1-yl)propan-1-one
CID 161316625
N-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406805
6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521049
[4-[4-[[6-(2-chloro-5-hydroxyphenyl)-8-methylquinazolin-2-yl]amino]phenyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 46832078

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one (CID 118982365) is 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ccc(-c3cc(O)ccc3Cl)cc2)CC1.
What is the InChIKey of 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is CNUWTLLTENOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-19(24)22-11-9-21(10-12-22)15-5-3-14(4-6-15)17-13-16(23)7-8-18(17)20/h2-8,13,23H,1,9-12H2.
What are the key properties of 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 342.83 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-chloro-5-hydroxyphenyl)phenyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118982365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).