1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine

C15H25N3O — CID 79328519

IUPAC1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine
SMILESCOc1ccccc1N(C)CCN1CCC(N)CC1
InChIInChI=1S/C15H25N3O/c1-17(14-5-3-4-6-15(14)19-2)11-12-18-9-7-13(16)8-10-18/h3-6,13H,7-12,16H2,1-2H3
InChIKeyWPMFVGLGLWHOLQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.55
Rot. Bonds5

About 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine

1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine (PubChem CID 79328519) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine
PubChem CID79328519
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine
SMILESCOc1ccccc1N(C)CCN1CCC(N)CC1
InChIInChI=1S/C15H25N3O/c1-17(14-5-3-4-6-15(14)19-2)11-12-18-9-7-13(16)8-10-18/h3-6,13H,7-12,16H2,1-2H3
InChIKeyWPMFVGLGLWHOLQ-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine (CID 79328519) is 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine is COc1ccccc1N(C)CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine?
The InChIKey is WPMFVGLGLWHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(14-5-3-4-6-15(14)19-2)11-12-18-9-7-13(16)8-10-18/h3-6,13H,7-12,16H2,1-2H3.
What are the key properties of 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine?
1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-N-methylanilino)ethyl]piperidin-4-amine is sourced from PubChem (CID 79328519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).