4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride

C14H21Cl2F2N3O — CID 119887909

IUPAC4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2N3O.2ClH/c15-11-3-4-12(16)13(10-11)18-6-8-19(9-7-18)14(20)2-1-5-17;;/h3-4,10H,1-2,5-9,17H2;2*1H
InChIKeyHZWAIONMNVSLLK-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.20
Rot. Bonds4

About 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride

4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride (PubChem CID 119887909) has the molecular formula C14H21Cl2F2N3O and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
PubChem CID119887909
Molecular FormulaC14H21Cl2F2N3O
Molecular Weight356.24 g/mol
Exact Mass355.10
IUPAC Name4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H19F2N3O.2ClH/c15-11-3-4-12(16)13(10-11)18-6-8-19(9-7-18)14(20)2-1-5-17;;/h3-4,10H,1-2,5-9,17H2;2*1H
InChIKeyHZWAIONMNVSLLK-UHFFFAOYSA-N
XLogP2.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565643
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
CID 82482240
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
4-amino-1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119291703
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 70313673
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride (CID 119887909) is 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride is Cl.Cl.NCCCC(=O)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
The InChIKey is HZWAIONMNVSLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O.2ClH/c15-11-3-4-12(16)13(10-11)18-6-8-19(9-7-18)14(20)2-1-5-17;;/h3-4,10H,1-2,5-9,17H2;2*1H.
What are the key properties of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride?
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 356.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 119887909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).