(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C21H25NO3 — CID 110911190

IUPAC(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(O)c(C(=O)N2CCC(C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H25NO3/c1-2-15-8-9-19(23)18(14-15)21(25)22-12-10-17(11-13-22)20(24)16-6-4-3-5-7-16/h3-9,14,17,20,23-24H,2,10-13H2,1H3
InChIKeyASLJFRCOXPOLIE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds4

About (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 110911190) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID110911190
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESCCc1ccc(O)c(C(=O)N2CCC(C(O)c3ccccc3)CC2)c1
InChIInChI=1S/C21H25NO3/c1-2-15-8-9-19(23)18(14-15)21(25)22-12-10-17(11-13-22)20(24)16-6-4-3-5-7-16/h3-9,14,17,20,23-24H,2,10-13H2,1H3
InChIKeyASLJFRCOXPOLIE-UHFFFAOYSA-N
XLogP3.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
2-[2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119180053
1-(5-ethyl-2-hydroxybenzoyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 154835571
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51102388
(3,5-dimethoxy-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 46445696
(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110909517
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 55625282

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 110911190) is (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is CCc1ccc(O)c(C(=O)N2CCC(C(O)c3ccccc3)CC2)c1.
What is the InChIKey of (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is ASLJFRCOXPOLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-15-8-9-19(23)18(14-15)21(25)22-12-10-17(11-13-22)20(24)16-6-4-3-5-7-16/h3-9,14,17,20,23-24H,2,10-13H2,1H3.
What are the key properties of (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110911190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).