1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol

C16H24FNO2 — CID 62645441

IUPAC1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
SMILESOCCC1CCCCN1CCC(O)c1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c17-14-5-3-4-13(12-14)16(20)7-10-18-9-2-1-6-15(18)8-11-19/h3-5,12,15-16,19-20H,1-2,6-11H2
InChIKeyWWMSWFVYTBTSSP-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.49
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol

1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol (PubChem CID 62645441) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
PubChem CID62645441
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
SMILESOCCC1CCCCN1CCC(O)c1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c17-14-5-3-4-13(12-14)16(20)7-10-18-9-2-1-6-15(18)8-11-19/h3-5,12,15-16,19-20H,1-2,6-11H2
InChIKeyWWMSWFVYTBTSSP-UHFFFAOYSA-N
XLogP2.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 82135943
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
(1R)-1-(3-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95343853
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62644713
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol (CID 62645441) is 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol is OCCC1CCCCN1CCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
The InChIKey is WWMSWFVYTBTSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c17-14-5-3-4-13(12-14)16(20)7-10-18-9-2-1-6-15(18)8-11-19/h3-5,12,15-16,19-20H,1-2,6-11H2.
What are the key properties of 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol?
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 62645441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).