2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one

C21H27N3O2 — CID 120596642

IUPAC2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(CC(O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-21(22,18-10-6-3-7-11-18)20(26)24-14-12-23(13-15-24)16-19(25)17-8-4-2-5-9-17/h2-11,19,25H,12-16,22H2,1H3
InChIKeyDHFJMLYWYZUHBE-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one

2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 120596642) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID120596642
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCN(CC(O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-21(22,18-10-6-3-7-11-18)20(26)24-14-12-23(13-15-24)16-19(25)17-8-4-2-5-9-17/h2-11,19,25H,12-16,22H2,1H3
InChIKeyDHFJMLYWYZUHBE-UHFFFAOYSA-N
XLogP1.74
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 62488068
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120596462
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 111105254
2-[4-(2-amino-2-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 120594763

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 120596642) is 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one is CC(N)(C(=O)N1CCN(CC(O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is DHFJMLYWYZUHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(22,18-10-6-3-7-11-18)20(26)24-14-12-23(13-15-24)16-19(25)17-8-4-2-5-9-17/h2-11,19,25H,12-16,22H2,1H3.
What are the key properties of 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 353.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 120596642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).