1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride

C13H19ClF2N2 — CID 119923924

IUPAC1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2ccc(F)c(F)c2)CC(C)N1.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-9-6-17(7-10(2)16-9)8-11-3-4-12(14)13(15)5-11;/h3-5,9-10,16H,6-8H2,1-2H3;1H
InChIKeyDAOLJXZQPCJOOE-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.57
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride

1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride (PubChem CID 119923924) has the molecular formula C13H19ClF2N2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
PubChem CID119923924
Molecular FormulaC13H19ClF2N2
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
SMILESCC1CN(Cc2ccc(F)c(F)c2)CC(C)N1.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-9-6-17(7-10(2)16-9)8-11-3-4-12(14)13(15)5-11;/h3-5,9-10,16H,6-8H2,1-2H3;1H
InChIKeyDAOLJXZQPCJOOE-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923904
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3,5-dimethylpiperazine;hydrochloride
CID 119924052
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpiperazine
CID 79701979
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924261
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
1-[(5-fluoro-3-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 104973765
1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119924222
1-[(3,4-difluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 82923713

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride (CID 119923924) is 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride is CC1CN(Cc2ccc(F)c(F)c2)CC(C)N1.Cl.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
The InChIKey is DAOLJXZQPCJOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2.ClH/c1-9-6-17(7-10(2)16-9)8-11-3-4-12(14)13(15)5-11;/h3-5,9-10,16H,6-8H2,1-2H3;1H.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride?
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride is sourced from PubChem (CID 119923924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).