(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone

C21H26N2O2 — CID 167744134

IUPAC(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(Nc3ccccc3C)CC2)c(O)c1
InChIInChI=1S/C21H26N2O2/c1-3-16-8-9-18(20(24)14-16)21(25)23-12-10-17(11-13-23)22-19-7-5-4-6-15(19)2/h4-9,14,17,22,24H,3,10-13H2,1-2H3
InChIKeyPVVNZQIUKULECK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.98
Rot. Bonds4

About (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone

(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone (PubChem CID 167744134) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
PubChem CID167744134
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCC(Nc3ccccc3C)CC2)c(O)c1
InChIInChI=1S/C21H26N2O2/c1-3-16-8-9-18(20(24)14-16)21(25)23-12-10-17(11-13-23)22-19-7-5-4-6-15(19)2/h4-9,14,17,22,24H,3,10-13H2,1-2H3
InChIKeyPVVNZQIUKULECK-UHFFFAOYSA-N
XLogP3.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 3950968
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
(4-ethyl-2-hydroxyphenyl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 122139181
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
(5-ethyl-2-hydroxyphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110911190
4-(2-hydroxyanilino)piperidine-1-carboxylic acid
CID 22293852
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-ethyl-2-hydroxyphenyl)methanone
CID 124623467
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea
CID 47070929

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone (CID 167744134) is (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCC(Nc3ccccc3C)CC2)c(O)c1.
What is the InChIKey of (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
The InChIKey is PVVNZQIUKULECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16-8-9-18(20(24)14-16)21(25)23-12-10-17(11-13-23)22-19-7-5-4-6-15(19)2/h4-9,14,17,22,24H,3,10-13H2,1-2H3.
What are the key properties of (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone?
(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 167744134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).