3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one

C16H24N2O3 — CID 106835109

IUPAC3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-9-18(10-7-13)16(20)8-11-21-15-4-2-14(17)3-5-15/h2-5,12-13,19H,6-11,17H2,1H3
InChIKeySLEILKQISDMCFV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds5

About 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one

3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 106835109) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID106835109
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(O)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-9-18(10-7-13)16(20)8-11-21-15-4-2-14(17)3-5-15/h2-5,12-13,19H,6-11,17H2,1H3
InChIKeySLEILKQISDMCFV-UHFFFAOYSA-N
XLogP1.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103504960
3-(4-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 61093576
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
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CID 106666931
3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 61092207
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972
3-(4-aminophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209724
5-(4-aminophenoxy)-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 142712233
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 62090187

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 106835109) is 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one is CC(O)C1CCN(C(=O)CCOc2ccc(N)cc2)CC1.
What is the InChIKey of 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is SLEILKQISDMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)13-6-9-18(10-7-13)16(20)8-11-21-15-4-2-14(17)3-5-15/h2-5,12-13,19H,6-11,17H2,1H3.
What are the key properties of 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one?
3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 106835109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).