2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C18H27N3O3 — CID 56827835

IUPAC2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(CC(O)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c22-17(16-4-2-1-3-5-16)14-19-6-8-20(9-7-19)15-18(23)21-10-12-24-13-11-21/h1-5,17,22H,6-15H2
InChIKeyOKTXSBOEHZIYKE-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.20
Rot. Bonds5

About 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 56827835) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID56827835
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(CC(O)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c22-17(16-4-2-1-3-5-16)14-19-6-8-20(9-7-19)15-18(23)21-10-12-24-13-11-21/h1-5,17,22H,6-15H2
InChIKeyOKTXSBOEHZIYKE-UHFFFAOYSA-N
XLogP0.20
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one
CID 95334948
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 56827835) is 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(CC(O)c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is OKTXSBOEHZIYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(16-4-2-1-3-5-16)14-19-6-8-20(9-7-19)15-18(23)21-10-12-24-13-11-21/h1-5,17,22H,6-15H2.
What are the key properties of 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 333.43 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56827835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).