[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol

C15H22F2N2O — CID 126829492

IUPAC[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(CCCc2c(F)cccc2F)CC1CO
InChIInChI=1S/C15H22F2N2O/c1-18-8-9-19(10-12(18)11-20)7-3-4-13-14(16)5-2-6-15(13)17/h2,5-6,12,20H,3-4,7-11H2,1H3
InChIKeyIMBYXTNIHAFCET-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.51
Rot. Bonds5

About [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol

[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 126829492) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol
PubChem CID126829492
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(CCCc2c(F)cccc2F)CC1CO
InChIInChI=1S/C15H22F2N2O/c1-18-8-9-19(10-12(18)11-20)7-3-4-13-14(16)5-2-6-15(13)17/h2,5-6,12,20H,3-4,7-11H2,1H3
InChIKeyIMBYXTNIHAFCET-UHFFFAOYSA-N
XLogP1.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63619578
[(2R)-4-ethyl-1-methylpiperazin-2-yl]methanol
CID 147759267
1-[3-(2-chloro-6-fluorophenyl)propyl]-1,4-diazepane
CID 95474151
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45251201
3-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 56894307
1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine
CID 170862989
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554
[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 136563170
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
2-[[1-[3-(2-chloro-6-fluorophenyl)propyl]azepan-4-yl]-methylamino]acetic acid
CID 122043467

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol (CID 126829492) is [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol is CN1CCN(CCCc2c(F)cccc2F)CC1CO.
What is the InChIKey of [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is IMBYXTNIHAFCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-18-8-9-19(10-12(18)11-20)7-3-4-13-14(16)5-2-6-15(13)17/h2,5-6,12,20H,3-4,7-11H2,1H3.
What are the key properties of [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol?
[4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 284.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,6-difluorophenyl)propyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 126829492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).