3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one

C14H19NO2 — CID 112571405

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCC(CO)C1)c1ccccc1
InChIInChI=1S/C14H19NO2/c16-11-12-6-8-15(10-12)9-7-14(17)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyQILUOUHPXXNVTB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.57
Rot. Bonds5

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one

3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one (PubChem CID 112571405) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
PubChem CID112571405
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
SMILESO=C(CCN1CCC(CO)C1)c1ccccc1
InChIInChI=1S/C14H19NO2/c16-11-12-6-8-15(10-12)9-7-14(17)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKeyQILUOUHPXXNVTB-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
CID 115926022
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one (CID 112571405) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one is O=C(CCN1CCC(CO)C1)c1ccccc1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one?
The InChIKey is QILUOUHPXXNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-11-12-6-8-15(10-12)9-7-14(17)13-4-2-1-3-5-13/h1-5,12,16H,6-11H2.
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 112571405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).