1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone

C15H21NO3 — CID 80706485

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-12-3-5-13(6-4-12)19-11-14(17)16-9-7-15(2,18)8-10-16/h3-6,18H,7-11H2,1-2H3
InChIKeyDKPGXZUWOLTVGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds3

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 80706485) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
PubChem CID80706485
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(C)(O)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-12-3-5-13(6-4-12)19-11-14(17)16-9-7-15(2,18)8-10-16/h3-6,18H,7-11H2,1-2H3
InChIKeyDKPGXZUWOLTVGU-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406764
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 136522002
1-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methylphenoxy)ethanone
CID 163309558
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone (CID 80706485) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(C)(O)CC2)cc1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is DKPGXZUWOLTVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-3-5-13(6-4-12)19-11-14(17)16-9-7-15(2,18)8-10-16/h3-6,18H,7-11H2,1-2H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 80706485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).