1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine

C23H28FNO — CID 11725632

IUPAC1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine
SMILESCCO[C@@H]1Cc2cccc(F)c2CC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28FNO/c1-2-26-23-15-19-9-6-10-21(24)20(19)16-22(23)25-13-11-18(12-14-25)17-7-4-3-5-8-17/h3-10,18,22-23H,2,11-16H2,1H3/t22?,23-/m1/s1
InChIKeyUQYQLNXUKDVDHU-OZAIVSQSSA-N
MW353.48 g/mol
LogP4.58
Rot. Bonds4

About 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine

1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine (PubChem CID 11725632) has the molecular formula C23H28FNO and a molecular weight of 353.48 g/mol. Its IUPAC name is 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine
PubChem CID11725632
Molecular FormulaC23H28FNO
Molecular Weight353.48 g/mol
Exact Mass353.22
IUPAC Name1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine
SMILESCCO[C@@H]1Cc2cccc(F)c2CC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28FNO/c1-2-26-23-15-19-9-6-10-21(24)20(19)16-22(23)25-13-11-18(12-14-25)17-7-4-3-5-8-17/h3-10,18,22-23H,2,11-16H2,1H3/t22?,23-/m1/s1
InChIKeyUQYQLNXUKDVDHU-OZAIVSQSSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine with MolForge

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Related Compounds

(2S,3S)-5-(18F)fluoro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 170928333
(2S,3S)-8-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 22841922
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
CID 148800849
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358164
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 133267233
[(1R,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl] benzoate
CID 40555068
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
CID 62133940
1-fluoro-4-phenylpiperidine
CID 143940552
4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
CID 102020253
(2R,3R)-8-amino-3-[4-(4-iodophenyl)piperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10575440

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine?
The IUPAC name of 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine (CID 11725632) is 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine?
The canonical SMILES for 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine is CCO[C@@H]1Cc2cccc(F)c2CC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine?
The InChIKey is UQYQLNXUKDVDHU-OZAIVSQSSA-N. The full InChI is InChI=1S/C23H28FNO/c1-2-26-23-15-19-9-6-10-21(24)20(19)16-22(23)25-13-11-18(12-14-25)17-7-4-3-5-8-17/h3-10,18,22-23H,2,11-16H2,1H3/t22?,23-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine?
1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine has a molecular weight of 353.48 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-ethoxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidine is sourced from PubChem (CID 11725632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).