1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine

C16H21BrF2N2 — CID 106273284

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
SMILESCC1CN(Cc2c(F)ccc(Br)c2F)C(C)(C2CC2)CN1
InChIInChI=1S/C16H21BrF2N2/c1-10-7-21(16(2,9-20-10)11-3-4-11)8-12-14(18)6-5-13(17)15(12)19/h5-6,10-11,20H,3-4,7-9H2,1-2H3
InChIKeyQDLQQXXNKRZQHV-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.69
Rot. Bonds3

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine

1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine (PubChem CID 106273284) has the molecular formula C16H21BrF2N2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
PubChem CID106273284
Molecular FormulaC16H21BrF2N2
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine
SMILESCC1CN(Cc2c(F)ccc(Br)c2F)C(C)(C2CC2)CN1
InChIInChI=1S/C16H21BrF2N2/c1-10-7-21(16(2,9-20-10)11-3-4-11)8-12-14(18)6-5-13(17)15(12)19/h5-6,10-11,20H,3-4,7-9H2,1-2H3
InChIKeyQDLQQXXNKRZQHV-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
CID 106273265
2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64844959
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
CID 106273157
2-cyclopropyl-2,5-dimethyl-1-(2-phenylethyl)piperazine
CID 64844387
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 106273342
1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
CID 64842191
5-[(3-bromo-2,6-difluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106264888
2-cyclopropyl-2,5-dimethyl-1-(2-methylbutyl)piperazine
CID 64844970
2-cyclopropyl-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64843995
2-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-2,5-dimethylpiperazine
CID 64844969
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
1-butyl-2-cyclopropyl-2,5-dimethylpiperazine
CID 64844568

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine (CID 106273284) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine is CC1CN(Cc2c(F)ccc(Br)c2F)C(C)(C2CC2)CN1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine?
The InChIKey is QDLQQXXNKRZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF2N2/c1-10-7-21(16(2,9-20-10)11-3-4-11)8-12-14(18)6-5-13(17)15(12)19/h5-6,10-11,20H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine has a molecular weight of 359.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2,5-dimethylpiperazine is sourced from PubChem (CID 106273284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).