N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine

C13H29FN4 — CID 171656942

IUPACN-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine
SMILESCCN1CCC(F)(CN(CC)CCNNC)CC1
InChIInChI=1S/C13H29FN4/c1-4-17-9-6-13(14,7-10-17)12-18(5-2)11-8-16-15-3/h15-16H,4-12H2,1-3H3
InChIKeyOIPVVBPLBMOAST-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.86
Rot. Bonds8

About N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine

N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine (PubChem CID 171656942) has the molecular formula C13H29FN4 and a molecular weight of 260.40 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine
PubChem CID171656942
Molecular FormulaC13H29FN4
Molecular Weight260.40 g/mol
Exact Mass260.24
IUPAC NameN-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine
SMILESCCN1CCC(F)(CN(CC)CCNNC)CC1
InChIInChI=1S/C13H29FN4/c1-4-17-9-6-13(14,7-10-17)12-18(5-2)11-8-16-15-3/h15-16H,4-12H2,1-3H3
InChIKeyOIPVVBPLBMOAST-UHFFFAOYSA-N
XLogP0.86
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine?
The IUPAC name of N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine (CID 171656942) is N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine?
The canonical SMILES for N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine is CCN1CCC(F)(CN(CC)CCNNC)CC1.
What is the InChIKey of N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine?
The InChIKey is OIPVVBPLBMOAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29FN4/c1-4-17-9-6-13(14,7-10-17)12-18(5-2)11-8-16-15-3/h15-16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine?
N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine has a molecular weight of 260.40 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-4-fluoropiperidin-4-yl)methyl]-2-(2-methylhydrazinyl)ethanamine is sourced from PubChem (CID 171656942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).