N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

C16H27FN4 — CID 83118931

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCC(NCC(C)(C)N1CCN(C)CC1)c1ccc(F)cn1
InChIInChI=1S/C16H27FN4/c1-13(15-6-5-14(17)11-18-15)19-12-16(2,3)21-9-7-20(4)8-10-21/h5-6,11,13,19H,7-10,12H2,1-4H3
InChIKeyLNRLYZJLTMCLDH-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 83118931) has the molecular formula C16H27FN4 and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID83118931
Molecular FormulaC16H27FN4
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCC(NCC(C)(C)N1CCN(C)CC1)c1ccc(F)cn1
InChIInChI=1S/C16H27FN4/c1-13(15-6-5-14(17)11-18-15)19-12-16(2,3)21-9-7-20(4)8-10-21/h5-6,11,13,19H,7-10,12H2,1-4H3
InChIKeyLNRLYZJLTMCLDH-UHFFFAOYSA-N
XLogP1.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 83118931) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is CC(NCC(C)(C)N1CCN(C)CC1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is LNRLYZJLTMCLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4/c1-13(15-6-5-14(17)11-18-15)19-12-16(2,3)21-9-7-20(4)8-10-21/h5-6,11,13,19H,7-10,12H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 294.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 83118931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).