1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine

C15H22FNO — CID 56889121

IUPAC1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
SMILESCCOCCN1CCCCC1c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-2-18-11-10-17-9-4-3-8-15(17)13-6-5-7-14(16)12-13/h5-7,12,15H,2-4,8-11H2,1H3
InChIKeyMASMKHSAPMVZOE-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine

1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine (PubChem CID 56889121) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
PubChem CID56889121
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
SMILESCCOCCN1CCCCC1c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-2-18-11-10-17-9-4-3-8-15(17)13-6-5-7-14(16)12-13/h5-7,12,15H,2-4,8-11H2,1H3
InChIKeyMASMKHSAPMVZOE-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 56914593
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperidine
CID 99935057
(2R)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072811
(2S)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072812
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95895040
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878124

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine?
The IUPAC name of 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine (CID 56889121) is 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine is CCOCCN1CCCCC1c1cccc(F)c1.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine?
The InChIKey is MASMKHSAPMVZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-18-11-10-17-9-4-3-8-15(17)13-6-5-7-14(16)12-13/h5-7,12,15H,2-4,8-11H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine?
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine is sourced from PubChem (CID 56889121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).