1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol

C16H25FN2O — CID 111456975

IUPAC1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
SMILESCN1CCCC(CN(C)CC(O)c2ccccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-18-9-5-6-13(10-18)11-19(2)12-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,16,20H,5-6,9-12H2,1-2H3
InChIKeyZBKNAJKGIXZBQS-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol

1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol (PubChem CID 111456975) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
PubChem CID111456975
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
SMILESCN1CCCC(CN(C)CC(O)c2ccccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-18-9-5-6-13(10-18)11-19(2)12-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,16,20H,5-6,9-12H2,1-2H3
InChIKeyZBKNAJKGIXZBQS-UHFFFAOYSA-N
XLogP2.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 63273824
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
CID 111490262
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol (CID 111456975) is 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol is CN1CCCC(CN(C)CC(O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol?
The InChIKey is ZBKNAJKGIXZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18-9-5-6-13(10-18)11-19(2)12-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,16,20H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol?
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 111456975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).