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

C19H22F2N2O — CID 3970423

IUPAC1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2ccc(F)cc2F)N2CCNCC2)c1
InChIInChI=1S/C19H22F2N2O/c1-2-24-16-5-3-4-14(12-16)19(23-10-8-22-9-11-23)17-7-6-15(20)13-18(17)21/h3-7,12-13,19,22H,2,8-11H2,1H3
InChIKeyDDZKPPMAMXAXFW-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.36
Rot. Bonds5

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

1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine (PubChem CID 3970423) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
PubChem CID3970423
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(C(c2ccc(F)cc2F)N2CCNCC2)c1
InChIInChI=1S/C19H22F2N2O/c1-2-24-16-5-3-4-14(12-16)19(23-10-8-22-9-11-23)17-7-6-15(20)13-18(17)21/h3-7,12-13,19,22H,2,8-11H2,1H3
InChIKeyDDZKPPMAMXAXFW-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 3922190
1-[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3831792
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(2,4-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-1,4-diazepane
CID 3326663
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179653
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine (CID 3970423) is 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine is CCOc1cccc(C(c2ccc(F)cc2F)N2CCNCC2)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
The InChIKey is DDZKPPMAMXAXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-2-24-16-5-3-4-14(12-16)19(23-10-8-22-9-11-23)17-7-6-15(20)13-18(17)21/h3-7,12-13,19,22H,2,8-11H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine?
1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine has a molecular weight of 332.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(3-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3970423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).