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

C15H23Cl2F2N3O — CID 120565643

IUPAC4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(c2cc(F)ccc2F)CC1.Cl.Cl
InChIInChI=1S/C15H21F2N3O.2ClH/c1-11(18)2-5-15(21)20-8-6-19(7-9-20)14-10-12(16)3-4-13(14)17;;/h3-4,10-11H,2,5-9,18H2,1H3;2*1H
InChIKeyAGAMMTYWTQMMLN-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.58
Rot. Bonds4

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

4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride (PubChem CID 120565643) has the molecular formula C15H23Cl2F2N3O and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
PubChem CID120565643
Molecular FormulaC15H23Cl2F2N3O
Molecular Weight370.27 g/mol
Exact Mass369.12
IUPAC Name4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(c2cc(F)ccc2F)CC1.Cl.Cl
InChIInChI=1S/C15H21F2N3O.2ClH/c1-11(18)2-5-15(21)20-8-6-19(7-9-20)14-10-12(16)3-4-13(14)17;;/h3-4,10-11H,2,5-9,18H2,1H3;2*1H
InChIKeyAGAMMTYWTQMMLN-UHFFFAOYSA-N
XLogP2.58
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119887909
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
3-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120504016
4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 120559897
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119887891
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one;dihydrochloride
CID 120564928
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887880
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pentanamide;dihydrochloride
CID 120565211
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
CID 119858817

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride (CID 120565643) is 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride is CC(N)CCC(=O)N1CCN(c2cc(F)ccc2F)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
The InChIKey is AGAMMTYWTQMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.2ClH/c1-11(18)2-5-15(21)20-8-6-19(7-9-20)14-10-12(16)3-4-13(14)17;;/h3-4,10-11H,2,5-9,18H2,1H3;2*1H.
What are the key properties of 4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride?
4-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]pentan-1-one;dihydrochloride has a molecular weight of 370.27 g/mol, XLogP of 2.58, 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]pentan-1-one;dihydrochloride is sourced from PubChem (CID 120565643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).