1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine

C16H26FN3 — CID 63267366

IUPAC1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCCC(c1ccc(F)cc1)N(C)CCN1CCNCC1
InChIInChI=1S/C16H26FN3/c1-3-16(14-4-6-15(17)7-5-14)19(2)12-13-20-10-8-18-9-11-20/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyMUPNCDGKVAETBW-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.11
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine

1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine (PubChem CID 63267366) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
PubChem CID63267366
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCCC(c1ccc(F)cc1)N(C)CCN1CCNCC1
InChIInChI=1S/C16H26FN3/c1-3-16(14-4-6-15(17)7-5-14)19(2)12-13-20-10-8-18-9-11-20/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyMUPNCDGKVAETBW-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)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

Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 55168867
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 63267675
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909752
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
3-[1-[methyl(2-piperazin-1-ylethyl)amino]ethyl]benzonitrile
CID 63991133

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine (CID 63267366) is 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine is CCC(c1ccc(F)cc1)N(C)CCN1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
The InChIKey is MUPNCDGKVAETBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-16(14-4-6-15(17)7-5-14)19(2)12-13-20-10-8-18-9-11-20/h4-7,16,18H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine?
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 63267366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).