1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone

C20H23NO3 — CID 30858765

IUPAC1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(O)c(CN2CCCCC2)c1O
InChIInChI=1S/C20H23NO3/c22-18-10-9-16(19(23)13-15-7-3-1-4-8-15)20(24)17(18)14-21-11-5-2-6-12-21/h1,3-4,7-10,22,24H,2,5-6,11-14H2
InChIKeyOGEHKOMXODVETQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.51
Rot. Bonds5

About 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone

1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone (PubChem CID 30858765) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone
PubChem CID30858765
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(O)c(CN2CCCCC2)c1O
InChIInChI=1S/C20H23NO3/c22-18-10-9-16(19(23)13-15-7-3-1-4-8-15)20(24)17(18)14-21-11-5-2-6-12-21/h1,3-4,7-10,22,24H,2,5-6,11-14H2
InChIKeyOGEHKOMXODVETQ-UHFFFAOYSA-N
XLogP3.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl]-2-(2-methoxyphenyl)ethanone
CID 30677145
1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 30858822
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-benzylazepane
CID 10954328
2,4-dihydroxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
CID 24825644
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
3-chloro-2-hydroxy-6-(2-phenylacetyl)benzoic acid
CID 151242683
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone (CID 30858765) is 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(O)c(CN2CCCCC2)c1O.
What is the InChIKey of 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone?
The InChIKey is OGEHKOMXODVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-18-10-9-16(19(23)13-15-7-3-1-4-8-15)20(24)17(18)14-21-11-5-2-6-12-21/h1,3-4,7-10,22,24H,2,5-6,11-14H2.
What are the key properties of 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone?
1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone has a molecular weight of 325.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 30858765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).