(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C14H20N2O3 — CID 81420206

IUPAC(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H20N2O3/c1-14(18)6-8-16(9-7-14)13(17)12-10(15)4-3-5-11(12)19-2/h3-5,18H,6-9,15H2,1-2H3
InChIKeyLDNHWYGQWZRFNW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds2

About (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81420206) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81420206
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H20N2O3/c1-14(18)6-8-16(9-7-14)13(17)12-10(15)4-3-5-11(12)19-2/h3-5,18H,6-9,15H2,1-2H3
InChIKeyLDNHWYGQWZRFNW-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-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210563
(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81394866
(2-amino-6-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81395584
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 107159956
(2-amino-6-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420652
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
(2-amino-6-chlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 63658810
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
(3-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 112576079
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81420206) is (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is COc1cccc(N)c1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is LDNHWYGQWZRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(18)6-8-16(9-7-14)13(17)12-10(15)4-3-5-11(12)19-2/h3-5,18H,6-9,15H2,1-2H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-amino-6-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-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81420206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).