1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine

C20H24F2N2O2 — CID 77090012

IUPAC1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine
SMILESCOc1c(F)ccc(CN2CCN(CCOc3ccccc3)CC2)c1F
InChIInChI=1S/C20H24F2N2O2/c1-25-20-18(21)8-7-16(19(20)22)15-24-11-9-23(10-12-24)13-14-26-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyIOIWTJQTCJNGSV-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.17
Rot. Bonds7

About 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine

1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine (PubChem CID 77090012) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine
PubChem CID77090012
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine
SMILESCOc1c(F)ccc(CN2CCN(CCOc3ccccc3)CC2)c1F
InChIInChI=1S/C20H24F2N2O2/c1-25-20-18(21)8-7-16(19(20)22)15-24-11-9-23(10-12-24)13-14-26-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyIOIWTJQTCJNGSV-UHFFFAOYSA-N
XLogP3.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
1-[2-(2-chlorophenoxy)ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 2948911
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
5-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-(2-methoxyethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 156605855
2-[[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 44529123
(3aR,6aR)-5-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-(2-methoxyethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133116034
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine (CID 77090012) is 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine is COc1c(F)ccc(CN2CCN(CCOc3ccccc3)CC2)c1F.
What is the InChIKey of 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine?
The InChIKey is IOIWTJQTCJNGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-25-20-18(21)8-7-16(19(20)22)15-24-11-9-23(10-12-24)13-14-26-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3.
What are the key properties of 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine?
1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine has a molecular weight of 362.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluoro-3-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 77090012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).