(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C14H20N2O3 — CID 115413606

IUPAC(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-14(18)5-7-16(8-6-14)13(17)11-4-3-10(19-2)9-12(11)15/h3-4,9,18H,5-8,15H2,1-2H3
InChIKeyCQEIHIUNGWMLAR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 115413606) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID115413606
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C)(O)CC2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-14(18)5-7-16(8-6-14)13(17)11-4-3-10(19-2)9-12(11)15/h3-4,9,18H,5-8,15H2,1-2H3
InChIKeyCQEIHIUNGWMLAR-UHFFFAOYSA-N
XLogP1.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
(2-hydroxy-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404889
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219
1-(2-amino-4-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115413224
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 115413606) is (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(C)(O)CC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is CQEIHIUNGWMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(18)5-7-16(8-6-14)13(17)11-4-3-10(19-2)9-12(11)15/h3-4,9,18H,5-8,15H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115413606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).