1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride

C11H15ClF2N2 — CID 90039977

IUPAC1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(CN2CCNCC2)c(F)c1
InChIInChI=1S/C11H14F2N2.ClH/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15;/h1-2,7,14H,3-6,8H2;1H
InChIKeyFUTZACFTEYEBBK-UHFFFAOYSA-N
MW248.70 g/mol
LogP1.79
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride

1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 90039977) has the molecular formula C11H15ClF2N2 and a molecular weight of 248.70 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
PubChem CID90039977
Molecular FormulaC11H15ClF2N2
Molecular Weight248.70 g/mol
Exact Mass248.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(CN2CCNCC2)c(F)c1
InChIInChI=1S/C11H14F2N2.ClH/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15;/h1-2,7,14H,3-6,8H2;1H
InChIKeyFUTZACFTEYEBBK-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66203000
1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328025
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[[4-(difluoromethoxy)-2-fluorophenyl]methyl]piperazine
CID 118310188
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanol
CID 2057631
3-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64832815

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride (CID 90039977) is 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1ccc(CN2CCNCC2)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is FUTZACFTEYEBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2.ClH/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15;/h1-2,7,14H,3-6,8H2;1H.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride?
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 248.70 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 90039977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).