1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one

C15H21NO2 — CID 10101

💊View drug profile → ketobemidone
IUPAC1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2cccc(O)c2)CCN(C)CC1
InChIInChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyALFGKMXHOUSVAD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one

1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one (PubChem CID 10101) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
PubChem CID10101
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2cccc(O)c2)CCN(C)CC1
InChIInChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChIKeyALFGKMXHOUSVAD-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxypethidine
CID 61120
Thalictroidine
CID 10489834
3-(N-propylpiperidin-4-yl)phenol
CID 12988959
3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl]-phenol
CID 9840199
3-[1-(2-Cyclohexyl-ethyl)-3,4-dimethyl-piperidin-4-yl]-phenol
CID 9884847
Adl-08-0011
CID 9951118
3-[1-(3-Cyclohexyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol
CID 10359237
Ketobemidone Hydrochloride
CID 80069
Tolperisone metabolite M1'
CID 10377983
3-(1-Hexyl-3,4-dimethyl-piperidin-4-yl)-phenol
CID 9905393
3-[3,4-Dimethyl-1-(4-methyl-pentyl)-piperidin-4-yl]-phenol
CID 9949227
3-[1-(3-Cyclopentyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol
CID 10064312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one?
The IUPAC name of 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one (CID 10101) is 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one is CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1.
What is the InChIKey of 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one?
The InChIKey is ALFGKMXHOUSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one?
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one is sourced from PubChem (CID 10101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).