N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine

C13H21FN4 — CID 142079685

IUPACN-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(NN)c(CF)c2)CC1
InChIInChI=1S/C13H21FN4/c1-18-6-4-11(5-7-18)16-12-2-3-13(17-15)10(8-12)9-14/h2-3,8,11,16-17H,4-7,9,15H2,1H3
InChIKeyUWJZLOIHESEYSH-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.95
Rot. Bonds4

About N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine

N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine (PubChem CID 142079685) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine
PubChem CID142079685
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(NN)c(CF)c2)CC1
InChIInChI=1S/C13H21FN4/c1-18-6-4-11(5-7-18)16-12-2-3-13(17-15)10(8-12)9-14/h2-3,8,11,16-17H,4-7,9,15H2,1H3
InChIKeyUWJZLOIHESEYSH-UHFFFAOYSA-N
XLogP1.95
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine (CID 142079685) is N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(NN)c(CF)c2)CC1.
What is the InChIKey of N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is UWJZLOIHESEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-18-6-4-11(5-7-18)16-12-2-3-13(17-15)10(8-12)9-14/h2-3,8,11,16-17H,4-7,9,15H2,1H3.
What are the key properties of N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine?
N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(fluoromethyl)-4-hydrazinylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 142079685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).