1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine

C16H23BrF2N2 — CID 64935312

IUPAC1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2c(F)cc(F)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C16H23BrF2N2/c1-4-5-12-9-21(15(8-20-12)10(2)3)16-13(17)6-11(18)7-14(16)19/h6-7,10,12,15,20H,4-5,8-9H2,1-3H3
InChIKeyPKDVSQJCHBPQPQ-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine

1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64935312) has the molecular formula C16H23BrF2N2 and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64935312
Molecular FormulaC16H23BrF2N2
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2c(F)cc(F)cc2Br)C(C(C)C)CN1
InChIInChI=1S/C16H23BrF2N2/c1-4-5-12-9-21(15(8-20-12)10(2)3)16-13(17)6-11(18)7-14(16)19/h6-7,10,12,15,20H,4-5,8-9H2,1-3H3
InChIKeyPKDVSQJCHBPQPQ-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64940187
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
CID 64930588

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine (CID 64935312) is 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(c2c(F)cc(F)cc2Br)C(C(C)C)CN1.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is PKDVSQJCHBPQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF2N2/c1-4-5-12-9-21(15(8-20-12)10(2)3)16-13(17)6-11(18)7-14(16)19/h6-7,10,12,15,20H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine?
1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 361.27 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64935312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).