1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one

C14H19NO2 — CID 116564113

IUPAC1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1cccc(O)c1)CC1CCCNC1
InChIInChI=1S/C14H19NO2/c16-13-5-1-3-11(7-13)8-14(17)9-12-4-2-6-15-10-12/h1,3,5,7,12,15-16H,2,4,6,8-10H2
InChIKeyPZABNJBOCBENAX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds4

About 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one

1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one (PubChem CID 116564113) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
PubChem CID116564113
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
SMILESO=C(Cc1cccc(O)c1)CC1CCCNC1
InChIInChI=1S/C14H19NO2/c16-13-5-1-3-11(7-13)8-14(17)9-12-4-2-6-15-10-12/h1,3,5,7,12,15-16H,2,4,6,8-10H2
InChIKeyPZABNJBOCBENAX-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperidin-3-ylmethyl)phenol
CID 57155980
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
3-(azepan-4-ylmethyl)phenol
CID 83261812
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[1-(3-hydroxyphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62676485
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one (CID 116564113) is 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one is O=C(Cc1cccc(O)c1)CC1CCCNC1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is PZABNJBOCBENAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-5-1-3-11(7-13)8-14(17)9-12-4-2-6-15-10-12/h1,3,5,7,12,15-16H,2,4,6,8-10H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one?
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 116564113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).