1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine — IUPAC name, SMILES, InChIKey & properties

Name: 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine

1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine (PubChem CID 159656143) has the molecular formula C97H130F14N16O8 and a molecular weight of 1914.18 g/mol. Its IUPAC name is 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine.

Molecular Properties

Compound Name	1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine
PubChem CID	159656143
Molecular Formula	C97H130F14N16O8
Molecular Weight	1914.18 g/mol
Exact Mass	1913.00
IUPAC Name	1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine
SMILES	CC1CN(c2ccc(F)cc2F)CCN1.CCCOc1c(F)cc(N2CCNCC2)cc1F.COCCOc1ccc(N2CCNCC2)c(F)c1.COCCOc1ccc(N2CCNCC2)cc1C.COc1cc(F)cc(F)c1N1CCNCC1.Cc1cc(F)c(N2CCNCC2)c(F)c1.Cc1cc(F)c(N2CCNCC2)cc1C.FC1(F)Oc2ccc(N3CCNCC3)cc2OC1(F)F
InChI	InChI=1S/C14H22N2O2.C13H18F2N2O.C13H19FN2O2.C12H12F4N2O2.C12H17FN2.C11H14F2N2O.2C11H14F2N2/c1-12-11-13(16-7-5-15-6-8-16)3-4-14(12)18-10-9-17-2;1-2-7-18-13-11(14)8-10(9-12(13)15)17-5-3-16-4-6-17;1-17-8-9-18-11-2-3-13(12(14)10-11)16-6-4-15-5-7-16;13-11(14)12(15,16)20-10-7-8(1-2-9(10)19-11)18-5-3-17-4-6-18;1-9-7-11(13)12(8-10(9)2)15-5-3-14-4-6-15;1-16-10-7-8(12)6-9(13)11(10)15-4-2-14-3-5-15;1-8-6-9(12)11(10(13)7-8)15-4-2-14-3-5-15;1-8-7-15(5-4-14-8)11-3-2-9(12)6-10(11)13/h3-4,11,15H,5-10H2,1-2H3;8-9,16H,2-7H2,1H3;2-3,10,15H,4-9H2,1H3;1-2,7,17H,3-6H2;7-8,14H,3-6H2,1-2H3;6-7,14H,2-5H2,1H3;6-7,14H,2-5H2,1H3;2-3,6,8,14H,4-5,7H2,1H3
InChIKey	MSEXWGQOKSTHMS-UHFFFAOYSA-N
XLogP	13.59
TPSA	196.00 Å²
H-Bond Donors	8
H-Bond Acceptors	24
Rotatable Bonds	20
Heavy Atoms	135
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1914.18
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine?

The IUPAC name of 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine (CID 159656143) is 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine.

What is the SMILES notation for 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine?

The canonical SMILES for 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine is CC1CN(c2ccc(F)cc2F)CCN1.CCCOc1c(F)cc(N2CCNCC2)cc1F.COCCOc1ccc(N2CCNCC2)c(F)c1.COCCOc1ccc(N2CCNCC2)cc1C.COc1cc(F)cc(F)c1N1CCNCC1.Cc1cc(F)c(N2CCNCC2)c(F)c1.Cc1cc(F)c(N2CCNCC2)cc1C.FC1(F)Oc2ccc(N3CCNCC3)cc2OC1(F)F.

What is the InChIKey of 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine?

The InChIKey is MSEXWGQOKSTHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C13H18F2N2O.C13H19FN2O2.C12H12F4N2O2.C12H17FN2.C11H14F2N2O.2C11H14F2N2/c1-12-11-13(16-7-5-15-6-8-16)3-4-14(12)18-10-9-17-2;1-2-7-18-13-11(14)8-10(9-12(13)15)17-5-3-16-4-6-17;1-17-8-9-18-11-2-3-13(12(14)10-11)16-6-4-15-5-7-16;13-11(14)12(15,16)20-10-7-8(1-2-9(10)19-11)18-5-3-17-4-6-18;1-9-7-11(13)12(8-10(9)2)15-5-3-14-4-6-15;1-16-10-7-8(12)6-9(13)11(10)15-4-2-14-3-5-15;1-8-6-9(12)11(10(13)7-8)15-4-2-14-3-5-15;1-8-7-15(5-4-14-8)11-3-2-9(12)6-10(11)13/h3-4,11,15H,5-10H2,1-2H3;8-9,16H,2-7H2,1H3;2-3,10,15H,4-9H2,1H3;1-2,7,17H,3-6H2;7-8,14H,3-6H2,1-2H3;6-7,14H,2-5H2,1H3;6-7,14H,2-5H2,1H3;2-3,6,8,14H,4-5,7H2,1H3.

What are the key properties of 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine?

Where does this data come from?

All data for 1-(2,4-difluoro-6-methoxyphenyl)piperazine;1-(2,6-difluoro-4-methylphenyl)piperazine;1-(2,4-difluorophenyl)-3-methylpiperazine;1-(3,5-difluoro-4-propoxyphenyl)piperazine;1-(2-fluoro-4,5-dimethylphenyl)piperazine;1-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazine;1-[4-(2-methoxyethoxy)-3-methylphenyl]piperazine;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)piperazine is sourced from PubChem (CID 159656143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).