1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone

C24H27N3O2 — CID 86905281

IUPAC1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2cccc2)cc1)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O2/c28-23(21-6-2-1-3-7-21)19-25-14-16-27(17-15-25)24(29)18-20-8-10-22(11-9-20)26-12-4-5-13-26/h1-13,23,28H,14-19H2
InChIKeyKVLCDLJVCHKHFH-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.90
Rot. Bonds6

About 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone

1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone (PubChem CID 86905281) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
PubChem CID86905281
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2cccc2)cc1)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O2/c28-23(21-6-2-1-3-7-21)19-25-14-16-27(17-15-25)24(29)18-20-8-10-22(11-9-20)26-12-4-5-13-26/h1-13,23,28H,14-19H2
InChIKeyKVLCDLJVCHKHFH-UHFFFAOYSA-N
XLogP2.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
3-(2-aminophenyl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120613040
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
2-phenyl-1-[4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108545585
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-pyrrol-1-ylphenyl)ethanone
CID 131961363
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982698
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95344111
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-propoxyethanone
CID 95345396

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
The IUPAC name of 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone (CID 86905281) is 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone is O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
The InChIKey is KVLCDLJVCHKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23(21-6-2-1-3-7-21)19-25-14-16-27(17-15-25)24(29)18-20-8-10-22(11-9-20)26-12-4-5-13-26/h1-13,23,28H,14-19H2.
What are the key properties of 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone?
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone has a molecular weight of 389.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone is sourced from PubChem (CID 86905281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).