2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol

C16H24FNO2 — CID 139776336

IUPAC2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO2/c17-15-2-4-16(5-3-15)20-13-1-9-18-10-6-14(7-11-18)8-12-19/h2-5,14,19H,1,6-13H2
InChIKeyIOWHCHCCEDGCDO-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.69
Rot. Bonds7

About 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol

2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol (PubChem CID 139776336) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
PubChem CID139776336
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FNO2/c17-15-2-4-16(5-3-15)20-13-1-9-18-10-6-14(7-11-18)8-12-19/h2-5,14,19H,1,6-13H2
InChIKeyIOWHCHCCEDGCDO-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol (CID 139776336) is 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol is OCCC1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol?
The InChIKey is IOWHCHCCEDGCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c17-15-2-4-16(5-3-15)20-13-1-9-18-10-6-14(7-11-18)8-12-19/h2-5,14,19H,1,6-13H2.
What are the key properties of 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol?
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol has a molecular weight of 281.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 139776336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).