2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one

C18H28N2O3 — CID 111434630

IUPAC2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccc(OC(C)C(=O)N2CCN(CCCO)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-16-5-7-17(8-6-16)23-15(2)18(22)20-12-10-19(11-13-20)9-4-14-21/h5-8,15,21H,3-4,9-14H2,1-2H3
InChIKeyKDLGZTRTFUXPRA-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.54
Rot. Bonds7

About 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one

2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one (PubChem CID 111434630) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
PubChem CID111434630
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccc(OC(C)C(=O)N2CCN(CCCO)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-16-5-7-17(8-6-16)23-15(2)18(22)20-12-10-19(11-13-20)9-4-14-21/h5-8,15,21H,3-4,9-14H2,1-2H3
InChIKeyKDLGZTRTFUXPRA-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
1-[4-(2-chloropropanoyl)piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 146086073
(2S)-2-[4-[(2S)-2-(4-ethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 124683688
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenoxy)propan-1-one
CID 82043331
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 119796851
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-2-(4-ethylphenoxy)propan-1-one;hydrochloride
CID 119796866
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
2-[4-(2-hydroxyethyl)phenoxy]-1-piperazin-1-ylpropan-1-one
CID 107708897
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethylphenoxy)propan-1-one
CID 51704521
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one (CID 111434630) is 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one is CCc1ccc(OC(C)C(=O)N2CCN(CCCO)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
The InChIKey is KDLGZTRTFUXPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-16-5-7-17(8-6-16)23-15(2)18(22)20-12-10-19(11-13-20)9-4-14-21/h5-8,15,21H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one?
2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one has a molecular weight of 320.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 111434630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).