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

C16H25FN2O — CID 62631209

IUPAC1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
SMILESCN1CCCC(N(C)CCC(O)c2ccccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-18-10-5-6-13(12-18)19(2)11-9-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,16,20H,5-6,9-12H2,1-2H3
InChIKeyIAKJEFPRLPUZFZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.28
Rot. Bonds5

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

1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol (PubChem CID 62631209) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
PubChem CID62631209
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
SMILESCN1CCCC(N(C)CCC(O)c2ccccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-18-10-5-6-13(12-18)19(2)11-9-16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13,16,20H,5-6,9-12H2,1-2H3
InChIKeyIAKJEFPRLPUZFZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560518
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
1-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62624360
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol (CID 62631209) is 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol is CN1CCCC(N(C)CCC(O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol?
The InChIKey is IAKJEFPRLPUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-18-10-5-6-13(12-18)19(2)11-9-16(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)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol?
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 62631209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).