2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine

C13H19F2N3 — CID 55218660

IUPAC2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H19F2N3/c14-12-2-1-11(13(15)9-12)10-18-7-5-17(4-3-16)6-8-18/h1-2,9H,3-8,10,16H2
InChIKeyCSTVBYHQCUGTSR-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.04
Rot. Bonds4

About 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine (PubChem CID 55218660) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
PubChem CID55218660
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H19F2N3/c14-12-2-1-11(13(15)9-12)10-18-7-5-17(4-3-16)6-8-18/h1-2,9H,3-8,10,16H2
InChIKeyCSTVBYHQCUGTSR-UHFFFAOYSA-N
XLogP1.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
CID 63339468
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341957
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 63289209
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine (CID 55218660) is 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine is NCCN1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is CSTVBYHQCUGTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c14-12-2-1-11(13(15)9-12)10-18-7-5-17(4-3-16)6-8-18/h1-2,9H,3-8,10,16H2.
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine?
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 55218660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).