1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol

C14H20BrFN2O — CID 82263447

IUPAC1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
SMILESCC(CN1CCNCC1)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O/c1-10(9-18-6-4-17-5-7-18)14(19)12-8-11(15)2-3-13(12)16/h2-3,8,10,14,17,19H,4-7,9H2,1H3
InChIKeyTVJREMZDQJLSLA-UHFFFAOYSA-N
MW331.23 g/mol
LogP2.16
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol

1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol (PubChem CID 82263447) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
PubChem CID82263447
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
SMILESCC(CN1CCNCC1)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O/c1-10(9-18-6-4-17-5-7-18)14(19)12-8-11(15)2-3-13(12)16/h2-3,8,10,14,17,19H,4-7,9H2,1H3
InChIKeyTVJREMZDQJLSLA-UHFFFAOYSA-N
XLogP2.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82264910
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
CID 115624906
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82264442
2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
CID 82263132
1-[(1S)-1-(5-bromo-2-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171274415
1-[(1R)-1-(5-bromo-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171274394
1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol (CID 82263447) is 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol is CC(CN1CCNCC1)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
The InChIKey is TVJREMZDQJLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-10(9-18-6-4-17-5-7-18)14(19)12-8-11(15)2-3-13(12)16/h2-3,8,10,14,17,19H,4-7,9H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol has a molecular weight of 331.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82263447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).