1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine

C14H20F2N2O2 — CID 117461783

IUPAC1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
SMILESCOc1cc(OC)c(C(F)F)cc1CN1CCNCC1
InChIInChI=1S/C14H20F2N2O2/c1-19-12-8-13(20-2)11(14(15)16)7-10(12)9-18-5-3-17-4-6-18/h7-8,14,17H,3-6,9H2,1-2H3
InChIKeySNJPZZMWDGSYDL-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.05
Rot. Bonds5

About 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine

1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine (PubChem CID 117461783) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
PubChem CID117461783
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
SMILESCOc1cc(OC)c(C(F)F)cc1CN1CCNCC1
InChIInChI=1S/C14H20F2N2O2/c1-19-12-8-13(20-2)11(14(15)16)7-10(12)9-18-5-3-17-4-6-18/h7-8,14,17H,3-6,9H2,1-2H3
InChIKeySNJPZZMWDGSYDL-UHFFFAOYSA-N
XLogP2.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[[5-chloro-2-(difluoromethyl)phenyl]methyl]piperazine
CID 117406204
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine?
The IUPAC name of 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine (CID 117461783) is 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine.
What is the SMILES notation for 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine?
The canonical SMILES for 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine is COc1cc(OC)c(C(F)F)cc1CN1CCNCC1.
What is the InChIKey of 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine?
The InChIKey is SNJPZZMWDGSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-19-12-8-13(20-2)11(14(15)16)7-10(12)9-18-5-3-17-4-6-18/h7-8,14,17H,3-6,9H2,1-2H3.
What are the key properties of 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine?
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine has a molecular weight of 286.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine is sourced from PubChem (CID 117461783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).