1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine

C14H23N3O — CID 57416153

IUPAC1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)C)CC2)ccc1N
InChIInChI=1S/C14H23N3O/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeySTOCRCLYMPKTEC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine

1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 57416153) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID57416153
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)C)CC2)ccc1N
InChIInChI=1S/C14H23N3O/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeySTOCRCLYMPKTEC-UHFFFAOYSA-N
XLogP1.81
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine (CID 57416153) is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine is COc1cc(N2CCC(N(C)C)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is STOCRCLYMPKTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine?
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 57416153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).