1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine

C14H21F2N3 — CID 116954962

IUPAC1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCNC(CCN1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2N3/c1-17-14(4-7-19-8-5-18-6-9-19)12-3-2-11(15)10-13(12)16/h2-3,10,14,17-18H,4-9H2,1H3
InChIKeyDJYSSALYAOPBFT-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.52
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine

1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 116954962) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
PubChem CID116954962
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCNC(CCN1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H21F2N3/c1-17-14(4-7-19-8-5-18-6-9-19)12-3-2-11(15)10-13(12)16/h2-3,10,14,17-18H,4-9H2,1H3
InChIKeyDJYSSALYAOPBFT-UHFFFAOYSA-N
XLogP1.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954814
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
[1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 112628961
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62643870

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine (CID 116954962) is 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine is CNC(CCN1CCNCC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is DJYSSALYAOPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-17-14(4-7-19-8-5-18-6-9-19)12-3-2-11(15)10-13(12)16/h2-3,10,14,17-18H,4-9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine?
1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116954962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).