1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

C19H22F2N2 — CID 782012

IUPAC1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(Cc3c(F)cccc3F)CC2)c1C
InChIInChI=1S/C19H22F2N2/c1-14-5-3-8-19(15(14)2)23-11-9-22(10-12-23)13-16-17(20)6-4-7-18(16)21/h3-8H,9-13H2,1-2H3
InChIKeyNUUPTKURZOSYDX-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine

1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 782012) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID782012
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(Cc3c(F)cccc3F)CC2)c1C
InChIInChI=1S/C19H22F2N2/c1-14-5-3-8-19(15(14)2)23-11-9-22(10-12-23)13-16-17(20)6-4-7-18(16)21/h3-8H,9-13H2,1-2H3
InChIKeyNUUPTKURZOSYDX-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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LY-165163
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1-(1-Naphthyl)piperazine
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1-(1-Naphthyl)piperazine hydrochloride
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Phenbenzamine hydrochloride
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Piperazine, 1-phenethyl-4-phenyl-
CID 120540
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine (CID 782012) is 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(Cc3c(F)cccc3F)CC2)c1C.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is NUUPTKURZOSYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2/c1-14-5-3-8-19(15(14)2)23-11-9-22(10-12-23)13-16-17(20)6-4-7-18(16)21/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 316.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 782012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).