1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one

C17H25NO3 — CID 110895902

IUPAC1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N1CCCC(O)C1
InChIInChI=1S/C17H25NO3/c1-12(2)14-6-4-8-16(10-14)21-13(3)17(20)18-9-5-7-15(19)11-18/h4,6,8,10,12-13,15,19H,5,7,9,11H2,1-3H3
InChIKeyKAYWQDJXOVVZKY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one

1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one (PubChem CID 110895902) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
PubChem CID110895902
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N1CCCC(O)C1
InChIInChI=1S/C17H25NO3/c1-12(2)14-6-4-8-16(10-14)21-13(3)17(20)18-9-5-7-15(19)11-18/h4,6,8,10,12-13,15,19H,5,7,9,11H2,1-3H3
InChIKeyKAYWQDJXOVVZKY-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
2-[3-(1-aminoethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 43116396
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119631520
2-[3-[1-(methylamino)ethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43279861
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
1-[2-(aminomethyl)piperidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119466741
2-(4-chloro-2-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43390775
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one (CID 110895902) is 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one is CC(Oc1cccc(C(C)C)c1)C(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one?
The InChIKey is KAYWQDJXOVVZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)14-6-4-8-16(10-14)21-13(3)17(20)18-9-5-7-15(19)11-18/h4,6,8,10,12-13,15,19H,5,7,9,11H2,1-3H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one?
1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-(3-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 110895902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).