1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine

C18H20F2N2O — CID 25263308

IUPAC1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine
SMILESCc1c(OCc2ccc(F)c(F)c2)cccc1N1CCNCC1
InChIInChI=1S/C18H20F2N2O/c1-13-17(22-9-7-21-8-10-22)3-2-4-18(13)23-12-14-5-6-15(19)16(20)11-14/h2-6,11,21H,7-10,12H2,1H3
InChIKeyPAFUAENTYHACBL-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.26
Rot. Bonds4

About 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine

1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine (PubChem CID 25263308) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine.

Molecular Properties

Compound Name1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine
PubChem CID25263308
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine
SMILESCc1c(OCc2ccc(F)c(F)c2)cccc1N1CCNCC1
InChIInChI=1S/C18H20F2N2O/c1-13-17(22-9-7-21-8-10-22)3-2-4-18(13)23-12-14-5-6-15(19)16(20)11-14/h2-6,11,21H,7-10,12H2,1H3
InChIKeyPAFUAENTYHACBL-UHFFFAOYSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263305
Ucm1014
CID 121231413
AAE-M-PBP-amine
CID 24763223
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164
3-[(4-iodophenyl)methoxy]-N-methylaniline
CID 76283251
Benzenamine, 3-(3-(4-phenyl-1-piperazinyl)propoxy)-
CID 55413
1-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263304

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine?
The IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine (CID 25263308) is 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine.
What is the SMILES notation for 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine?
The canonical SMILES for 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine is Cc1c(OCc2ccc(F)c(F)c2)cccc1N1CCNCC1.
What is the InChIKey of 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine?
The InChIKey is PAFUAENTYHACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-13-17(22-9-7-21-8-10-22)3-2-4-18(13)23-12-14-5-6-15(19)16(20)11-14/h2-6,11,21H,7-10,12H2,1H3.
What are the key properties of 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine?
1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine has a molecular weight of 318.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-difluorophenyl)methoxy]-2-methylphenyl]piperazine is sourced from PubChem (CID 25263308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).