(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine

C16H24FNO2 — CID 2182375

IUPAC(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
SMILESC[C@H]1CCCN(CCOCCOc2ccccc2F)C1
InChIInChI=1S/C16H24FNO2/c1-14-5-4-8-18(13-14)9-10-19-11-12-20-16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3/t14-/m0/s1
InChIKeyXBXOBEOHVSQKGU-AWEZNQCLSA-N
MW281.37 g/mol
LogP2.95
Rot. Bonds7

About (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine

(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine (PubChem CID 2182375) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
PubChem CID2182375
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
SMILESC[C@H]1CCCN(CCOCCOc2ccccc2F)C1
InChIInChI=1S/C16H24FNO2/c1-14-5-4-8-18(13-14)9-10-19-11-12-20-16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3/t14-/m0/s1
InChIKeyXBXOBEOHVSQKGU-AWEZNQCLSA-N
XLogP2.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
1-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]-3-methylpiperidine;oxalic acid
CID 2935988
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
4-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7379881
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium
CID 2182374

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine (CID 2182375) is (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine is C[C@H]1CCCN(CCOCCOc2ccccc2F)C1.
What is the InChIKey of (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine?
The InChIKey is XBXOBEOHVSQKGU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-14-5-4-8-18(13-14)9-10-19-11-12-20-16-7-3-2-6-15(16)17/h2-3,6-7,14H,4-5,8-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine?
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine has a molecular weight of 281.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine is sourced from PubChem (CID 2182375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).