(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone

C14H20N2O3 — CID 82183619

IUPAC(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(N)cc(C(=O)N2CCCCC2)c1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-9-10(15)8-11(13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7,15H2,1-2H3
InChIKeyKFMYJDZJBVUBGH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.91
Rot. Bonds3

About (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone

(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 82183619) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
PubChem CID82183619
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
SMILESCOc1cc(N)cc(C(=O)N2CCCCC2)c1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-9-10(15)8-11(13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7,15H2,1-2H3
InChIKeyKFMYJDZJBVUBGH-UHFFFAOYSA-N
XLogP1.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2,3-dimethoxyphenyl)-(azepan-1-yl)methanone
CID 82183793
3-(5-amino-2,3-dimethoxyphenyl)-1-(azepan-1-yl)propan-1-one
CID 82071286
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
piperidin-1-yl-(2,3,6,7-tetramethoxyphenanthren-9-yl)methanone
CID 66561042
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(2-amino-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 112606053
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone (CID 82183619) is (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone is COc1cc(N)cc(C(=O)N2CCCCC2)c1OC.
What is the InChIKey of (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is KFMYJDZJBVUBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-9-10(15)8-11(13(12)19-2)14(17)16-6-4-3-5-7-16/h8-9H,3-7,15H2,1-2H3.
What are the key properties of (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone?
(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 264.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 82183619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).