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

C17H25NO2 — CID 106837729

IUPAC3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCC(C(C)O)CC2)c1
InChIInChI=1S/C17H25NO2/c1-13-4-3-5-16(12-13)17(20)8-11-18-9-6-15(7-10-18)14(2)19/h3-5,12,14-15,19H,6-11H2,1-2H3
InChIKeyIOTDMMJYKNPOKZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.66
Rot. Bonds5

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

3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one (PubChem CID 106837729) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
PubChem CID106837729
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCC(C(C)O)CC2)c1
InChIInChI=1S/C17H25NO2/c1-13-4-3-5-16(12-13)17(20)8-11-18-9-6-15(7-10-18)14(2)19/h3-5,12,14-15,19H,6-11H2,1-2H3
InChIKeyIOTDMMJYKNPOKZ-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
1-(3-chlorophenyl)-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 113418799
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-methylphenyl)propan-1-one
CID 63151310
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 103358415
1-(3-methylphenyl)butan-1-one
CID 4304992

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one (CID 106837729) is 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCN2CCC(C(C)O)CC2)c1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one?
The InChIKey is IOTDMMJYKNPOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-4-3-5-16(12-13)17(20)8-11-18-9-6-15(7-10-18)14(2)19/h3-5,12,14-15,19H,6-11H2,1-2H3.
What are the key properties of 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one?
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 106837729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).