1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone

C20H24N2O2 — CID 94085003

IUPAC1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-19(18-9-5-2-6-10-18)16-21-11-13-22(14-12-21)20(24)15-17-7-3-1-4-8-17/h1-10,19,23H,11-16H2/t19-/m0/s1
InChIKeyCWMWQXTUWRWEPW-IBGZPJMESA-N
MW324.42 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone

1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 94085003) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID94085003
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O2/c23-19(18-9-5-2-6-10-18)16-21-11-13-22(14-12-21)20(24)15-17-7-3-1-4-8-17/h1-10,19,23H,11-16H2/t19-/m0/s1
InChIKeyCWMWQXTUWRWEPW-IBGZPJMESA-N
XLogP2.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 86905281
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
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
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
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
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
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 56802145
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone (CID 94085003) is 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is CWMWQXTUWRWEPW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(18-9-5-2-6-10-18)16-21-11-13-22(14-12-21)20(24)15-17-7-3-1-4-8-17/h1-10,19,23H,11-16H2/t19-/m0/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 324.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 94085003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).