(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C14H20N2O3 — CID 114678357

IUPAC(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)C(C)C2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-9-8-16(6-5-13(9)17)14(18)11-4-3-10(19-2)7-12(11)15/h3-4,7,9,13,17H,5-6,8,15H2,1-2H3
InChIKeyGJWRYRUMYMKVNL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.12
Rot. Bonds2

About (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114678357) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114678357
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)C(C)C2)c(N)c1
InChIInChI=1S/C14H20N2O3/c1-9-8-16(6-5-13(9)17)14(18)11-4-3-10(19-2)7-12(11)15/h3-4,7,9,13,17H,5-6,8,15H2,1-2H3
InChIKeyGJWRYRUMYMKVNL-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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-hydroxy-5-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501379
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
(4-amino-3-methylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103807097
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114678357) is (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(O)C(C)C2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is GJWRYRUMYMKVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-16(6-5-13(9)17)14(18)11-4-3-10(19-2)7-12(11)15/h3-4,7,9,13,17H,5-6,8,15H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.12, 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-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114678357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).