2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol

C17H26FNO2 — CID 95730431

IUPAC2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO2/c18-17-7-5-15(6-8-17)3-4-16-2-1-9-19(14-16)10-12-21-13-11-20/h5-8,16,20H,1-4,9-14H2/t16-/m0/s1
InChIKeyUXXIRFLFNRBZGW-INIZCTEOSA-N
MW295.40 g/mol
LogP2.48
Rot. Bonds8

About 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol

2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol (PubChem CID 95730431) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
PubChem CID95730431
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCC[C@@H](CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO2/c18-17-7-5-15(6-8-17)3-4-16-2-1-9-19(14-16)10-12-21-13-11-20/h5-8,16,20H,1-4,9-14H2/t16-/m0/s1
InChIKeyUXXIRFLFNRBZGW-INIZCTEOSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.48
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

3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 56862084
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56892042
2-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanol
CID 62358329
2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
CID 95719841
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol (CID 95730431) is 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol is OCCOCCN1CCC[C@@H](CCc2ccc(F)cc2)C1.
What is the InChIKey of 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol?
The InChIKey is UXXIRFLFNRBZGW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26FNO2/c18-17-7-5-15(6-8-17)3-4-16-2-1-9-19(14-16)10-12-21-13-11-20/h5-8,16,20H,1-4,9-14H2/t16-/m0/s1.
What are the key properties of 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol?
2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol has a molecular weight of 295.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 95730431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).