2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol

C19H29F2N3O — CID 45251201

IUPAC2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCN1CCC(N2CCN(Cc3c(F)cccc3F)CC2CCO)CC1
InChIInChI=1S/C19H29F2N3O/c1-22-8-5-15(6-9-22)24-11-10-23(13-16(24)7-12-25)14-17-18(20)3-2-4-19(17)21/h2-4,15-16,25H,5-14H2,1H3
InChIKeyPFTILFLCEBTHLS-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.93
Rot. Bonds5

About 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45251201) has the molecular formula C19H29F2N3O and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45251201
Molecular FormulaC19H29F2N3O
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCN1CCC(N2CCN(Cc3c(F)cccc3F)CC2CCO)CC1
InChIInChI=1S/C19H29F2N3O/c1-22-8-5-15(6-9-22)24-11-10-23(13-16(24)7-12-25)14-17-18(20)3-2-4-19(17)21/h2-4,15-16,25H,5-14H2,1H3
InChIKeyPFTILFLCEBTHLS-UHFFFAOYSA-N
XLogP1.93
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 29219833
2-[[(3R)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenol
CID 98575671
2-[1-cyclopentyl-4-[(2,3,6-trifluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45212647
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253
2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 29026763
2-[4-[(3,4-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45243864
2-[1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45180019
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 45190210
2-[(2R)-4-[(2,4-difluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98578927
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45251201) is 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol is CN1CCC(N2CCN(Cc3c(F)cccc3F)CC2CCO)CC1.
What is the InChIKey of 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is PFTILFLCEBTHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O/c1-22-8-5-15(6-9-22)24-11-10-23(13-16(24)7-12-25)14-17-18(20)3-2-4-19(17)21/h2-4,15-16,25H,5-14H2,1H3.
What are the key properties of 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 353.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45251201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).