3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one

C19H21ClN2O2 — CID 155533839

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H21ClN2O2/c20-16-3-5-17(6-4-16)22-13-11-21(12-14-22)10-9-19(24)15-1-7-18(23)8-2-15/h1-8,23H,9-14H2
InChIKeyGCTYWXVGDSKRIJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.44
Rot. Bonds5

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one (PubChem CID 155533839) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one
PubChem CID155533839
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H21ClN2O2/c20-16-3-5-17(6-4-16)22-13-11-21(12-14-22)10-9-19(24)15-1-7-18(23)8-2-15/h1-8,23H,9-14H2
InChIKeyGCTYWXVGDSKRIJ-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one (CID 155533839) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one is O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one?
The InChIKey is GCTYWXVGDSKRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-3-5-17(6-4-16)22-13-11-21(12-14-22)10-9-19(24)15-1-7-18(23)8-2-15/h1-8,23H,9-14H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 155533839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).