N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

C16H27N3O2 — CID 82183840

IUPACN-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1cc(N)c(CN(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H27N3O2/c1-18-7-5-13(6-8-18)19(2)11-12-9-15(20-3)16(21-4)10-14(12)17/h9-10,13H,5-8,11,17H2,1-4H3
InChIKeyZRUJYXMJYUJVKU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.81
Rot. Bonds5

About N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 82183840) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID82183840
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1cc(N)c(CN(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H27N3O2/c1-18-7-5-13(6-8-18)19(2)11-12-9-15(20-3)16(21-4)10-14(12)17/h9-10,13H,5-8,11,17H2,1-4H3
InChIKeyZRUJYXMJYUJVKU-UHFFFAOYSA-N
XLogP1.81
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 82183840) is N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is COc1cc(N)c(CN(C)C2CCN(C)CC2)cc1OC.
What is the InChIKey of N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ZRUJYXMJYUJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18-7-5-13(6-8-18)19(2)11-12-9-15(20-3)16(21-4)10-14(12)17/h9-10,13H,5-8,11,17H2,1-4H3.
What are the key properties of N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 82183840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).