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

C14H20N2O3 — CID 102954888

IUPAC(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(C)C(O)C2)c1N
InChIInChI=1S/C14H20N2O3/c1-9-6-7-16(8-11(9)17)14(18)10-4-3-5-12(19-2)13(10)15/h3-5,9,11,17H,6-8,15H2,1-2H3
InChIKeyOHLYDDMGXWXMPC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.12
Rot. Bonds2

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

(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102954888) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102954888
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(C)C(O)C2)c1N
InChIInChI=1S/C14H20N2O3/c1-9-6-7-16(8-11(9)17)14(18)10-4-3-5-12(19-2)13(10)15/h3-5,9,11,17H,6-8,15H2,1-2H3
InChIKeyOHLYDDMGXWXMPC-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-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504954
(2-amino-3-methoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530159
(2-amino-3-methoxyphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835115
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(4-amino-3-methylpiperidin-1-yl)-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119592562
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
(2-bromo-3-fluorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102958136
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102954888) is (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is COc1cccc(C(=O)N2CCC(C)C(O)C2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is OHLYDDMGXWXMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-7-16(8-11(9)17)14(18)10-4-3-5-12(19-2)13(10)15/h3-5,9,11,17H,6-8,15H2,1-2H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-amino-3-methoxyphenyl)-(3-hydroxy-4-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-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102954888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).