(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one

C18H28N2O3 — CID 95347642

IUPAC(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
SMILESCCO[C@H](CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-3-17(23-4-2)18(22)20-12-10-19(11-13-20)14-16(21)15-8-6-5-7-9-15/h5-9,16-17,21H,3-4,10-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyMLPORWJMUNABPC-DLBZAZTESA-N
MW320.43 g/mol
LogP1.68
Rot. Bonds7

About (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one

(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one (PubChem CID 95347642) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
PubChem CID95347642
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one
SMILESCCO[C@H](CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-3-17(23-4-2)18(22)20-12-10-19(11-13-20)14-16(21)15-8-6-5-7-9-15/h5-9,16-17,21H,3-4,10-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyMLPORWJMUNABPC-DLBZAZTESA-N
XLogP1.68
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
(2S)-2-ethoxy-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613591
(2S)-2-ethoxy-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]butan-1-one
CID 95613590
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601915
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-prop-2-enoxypropan-1-one
CID 95601912
(2S)-2-(cyclopropylmethoxy)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601907
(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601906
1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-propoxyethanone
CID 95345396
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95601884
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-methylbutane-1,2-dione
CID 124744287
1-[4-(aminomethyl)-4-phenylpiperidin-1-yl]-2-ethoxybutan-1-one
CID 138011320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one (CID 95347642) is (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one is CCO[C@H](CC)C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one?
The InChIKey is MLPORWJMUNABPC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-17(23-4-2)18(22)20-12-10-19(11-13-20)14-16(21)15-8-6-5-7-9-15/h5-9,16-17,21H,3-4,10-14H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one?
(2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one has a molecular weight of 320.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 95347642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).