N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine

C14H24N4 — CID 63898763

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCN1CCN(C)C(CNCCc2ccccn2)C1
InChIInChI=1S/C14H24N4/c1-17-9-10-18(2)14(12-17)11-15-8-6-13-5-3-4-7-16-13/h3-5,7,14-15H,6,8-12H2,1-2H3
InChIKeyFPDDMJQJLDBHJU-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.46
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 63898763) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID63898763
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCN1CCN(C)C(CNCCc2ccccn2)C1
InChIInChI=1S/C14H24N4/c1-17-9-10-18(2)14(12-17)11-15-8-6-13-5-3-4-7-16-13/h3-5,7,14-15H,6,8-12H2,1-2H3
InChIKeyFPDDMJQJLDBHJU-UHFFFAOYSA-N
XLogP0.46
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine (CID 63898763) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine is CN1CCN(C)C(CNCCc2ccccn2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is FPDDMJQJLDBHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-9-10-18(2)14(12-17)11-15-8-6-13-5-3-4-7-16-13/h3-5,7,14-15H,6,8-12H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 63898763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).