(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine

C18H28FNO — CID 158065138

IUPAC(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(CC[C@@H]2CC(C)(C)NC(C)(C)[C@@H]2F)cc1
InChIInChI=1S/C18H28FNO/c1-17(2)12-14(16(19)18(3,4)20-17)9-6-13-7-10-15(21-5)11-8-13/h7-8,10-11,14,16,20H,6,9,12H2,1-5H3/t14-,16-/m1/s1
InChIKeySFHPUROURXQOBP-GDBMZVCRSA-N
MW293.43 g/mol
LogP4.13
Rot. Bonds4

About (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine

(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine (PubChem CID 158065138) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine
PubChem CID158065138
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(CC[C@@H]2CC(C)(C)NC(C)(C)[C@@H]2F)cc1
InChIInChI=1S/C18H28FNO/c1-17(2)12-14(16(19)18(3,4)20-17)9-6-13-7-10-15(21-5)11-8-13/h7-8,10-11,14,16,20H,6,9,12H2,1-5H3/t14-,16-/m1/s1
InChIKeySFHPUROURXQOBP-GDBMZVCRSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine (CID 158065138) is (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine is COc1ccc(CC[C@@H]2CC(C)(C)NC(C)(C)[C@@H]2F)cc1.
What is the InChIKey of (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine?
The InChIKey is SFHPUROURXQOBP-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H28FNO/c1-17(2)12-14(16(19)18(3,4)20-17)9-6-13-7-10-15(21-5)11-8-13/h7-8,10-11,14,16,20H,6,9,12H2,1-5H3/t14-,16-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine?
(3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine has a molecular weight of 293.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-[2-(4-methoxyphenyl)ethyl]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 158065138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).