[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol

C15H23FN2O — CID 55175384

IUPAC[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2ccc(F)cc2CO)CC1
InChIInChI=1S/C15H23FN2O/c1-17-7-5-12(6-8-17)10-18(2)15-4-3-14(16)9-13(15)11-19/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyZTHKECDYWGSRCJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.10
Rot. Bonds4

About [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol

[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol (PubChem CID 55175384) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
PubChem CID55175384
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
SMILESCN1CCC(CN(C)c2ccc(F)cc2CO)CC1
InChIInChI=1S/C15H23FN2O/c1-17-7-5-12(6-8-17)10-18(2)15-4-3-14(16)9-13(15)11-19/h3-4,9,12,19H,5-8,10-11H2,1-2H3
InChIKeyZTHKECDYWGSRCJ-UHFFFAOYSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
CID 61446000
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
[3-fluoro-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273796
[4-bromo-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 63273878
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 104982822
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
CID 60984636

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol (CID 55175384) is [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol is CN1CCC(CN(C)c2ccc(F)cc2CO)CC1.
What is the InChIKey of [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol?
The InChIKey is ZTHKECDYWGSRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-7-5-12(6-8-17)10-18(2)15-4-3-14(16)9-13(15)11-19/h3-4,9,12,19H,5-8,10-11H2,1-2H3.
What are the key properties of [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol?
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 55175384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).