4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine

C20H24FNO — CID 25263320

IUPAC4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine
SMILESCc1c(O[C@@H](C)c2cccc(F)c2)cccc1C1CCNCC1
InChIInChI=1S/C20H24FNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyVLFJECXUHXIQBJ-HNNXBMFYSA-N
MW313.42 g/mol
LogP4.74
Rot. Bonds4

About 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine

4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine (PubChem CID 25263320) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine
PubChem CID25263320
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine
SMILESCc1c(O[C@@H](C)c2cccc(F)c2)cccc1C1CCNCC1
InChIInChI=1S/C20H24FNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyVLFJECXUHXIQBJ-HNNXBMFYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-fluorophenoxy)phenyl]piperidine
CID 45375937
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
4-[(R)-(2-fluorophenoxy)-(3-fluorophenyl)methyl]piperidine
CID 59039062
4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145
4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
CID 11381601
1-(4-fluoro-2-piperidin-4-ylphenoxy)propan-2-ol
CID 156722310
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
4-(2-bromo-5-fluorophenyl)piperidine
CID 84709377
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
4-[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]piperidine
CID 11415864
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
4-(2-methoxyphenyl)piperidine
CID 544738

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine?
The IUPAC name of 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine (CID 25263320) is 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine.
What is the SMILES notation for 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine?
The canonical SMILES for 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine is Cc1c(O[C@@H](C)c2cccc(F)c2)cccc1C1CCNCC1.
What is the InChIKey of 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine?
The InChIKey is VLFJECXUHXIQBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine?
4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine has a molecular weight of 313.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl]piperidine is sourced from PubChem (CID 25263320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).