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

C14H21F2N3 — CID 63339468

IUPAC2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-11(9-17)19-6-4-18(5-7-19)10-12-2-3-13(15)8-14(12)16/h2-3,8,11H,4-7,9-10,17H2,1H3
InChIKeyNDNMGNUYLJQNHS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.43
Rot. Bonds4

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

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 63339468) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID63339468
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H21F2N3/c1-11(9-17)19-6-4-18(5-7-19)10-12-2-3-13(15)8-14(12)16/h2-3,8,11H,4-7,9-10,17H2,1H3
InChIKeyNDNMGNUYLJQNHS-UHFFFAOYSA-N
XLogP1.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341957
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
3-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 64770609
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 62772277
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167712
3-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 43585283

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine (CID 63339468) is 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is NDNMGNUYLJQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-11(9-17)19-6-4-18(5-7-19)10-12-2-3-13(15)8-14(12)16/h2-3,8,11H,4-7,9-10,17H2,1H3.
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine?
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 269.34 g/mol, XLogP of 1.43, 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]propan-1-amine is sourced from PubChem (CID 63339468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).