1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol

C16H25FN2O2 — CID 4300673

IUPAC1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCN1CCC(N(C)CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O2/c1-18-9-7-14(8-10-18)19(2)11-15(20)12-21-16-5-3-13(17)4-6-16/h3-6,14-15,20H,7-12H2,1-2H3
InChIKeyWIWHWCVVMJFEBU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.59
Rot. Bonds6

About 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol

1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 4300673) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID4300673
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCN1CCC(N(C)CC(O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O2/c1-18-9-7-14(8-10-18)19(2)11-15(20)12-21-16-5-3-13(17)4-6-16/h3-6,14-15,20H,7-12H2,1-2H3
InChIKeyWIWHWCVVMJFEBU-UHFFFAOYSA-N
XLogP1.59
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[bis(4-fluorophenyl)methoxy]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4876054
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-(4-fluorophenoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 61462344
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121945
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 4300673) is 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol is CN1CCC(N(C)CC(O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is WIWHWCVVMJFEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-18-9-7-14(8-10-18)19(2)11-15(20)12-21-16-5-3-13(17)4-6-16/h3-6,14-15,20H,7-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol?
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 296.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 4300673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).