1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine

C20H32F2N4O — CID 129149269

IUPAC1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2c(F)cc(OCCN3CCN(C)CC3)cc2F)CC1
InChIInChI=1S/C20H32F2N4O/c1-16(2)25-8-10-26(11-9-25)20-18(21)14-17(15-19(20)22)27-13-12-24-6-4-23(3)5-7-24/h14-16H,4-13H2,1-3H3
InChIKeyCPMALHRSESLQBZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.12
Rot. Bonds6

About 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine

1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine (PubChem CID 129149269) has the molecular formula C20H32F2N4O and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
PubChem CID129149269
Molecular FormulaC20H32F2N4O
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2c(F)cc(OCCN3CCN(C)CC3)cc2F)CC1
InChIInChI=1S/C20H32F2N4O/c1-16(2)25-8-10-26(11-9-25)20-18(21)14-17(15-19(20)22)27-13-12-24-6-4-23(3)5-7-24/h14-16H,4-13H2,1-3H3
InChIKeyCPMALHRSESLQBZ-UHFFFAOYSA-N
XLogP2.12
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
CID 178164768
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
1-(2,6-difluoro-4-propan-2-ylphenyl)-4-propan-2-ylpiperazine
CID 176931595
[3-fluoro-5-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boronic acid
CID 82892471
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]-4-propan-2-ylpiperazine
CID 129149317
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070
[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
CID 55146978
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperidine
CID 129149337
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-tert-butyl-4-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine
CID 138741639
2-[4-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenoxy]ethanol
CID 138741506

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine (CID 129149269) is 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(c2c(F)cc(OCCN3CCN(C)CC3)cc2F)CC1.
What is the InChIKey of 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine?
The InChIKey is CPMALHRSESLQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2N4O/c1-16(2)25-8-10-26(11-9-25)20-18(21)14-17(15-19(20)22)27-13-12-24-6-4-23(3)5-7-24/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine?
1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine has a molecular weight of 382.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 129149269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).