(2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine

C17H24F3NO — CID 160634124

IUPAC(2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine
SMILESCOCC(F)(F)C(c1ccc(F)cc1)N1C[C@H](C)CC[C@H]1C
InChIInChI=1S/C17H24F3NO/c1-12-4-5-13(2)21(10-12)16(17(19,20)11-22-3)14-6-8-15(18)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3/t12-,13-,16?/m1/s1
InChIKeyRIHSWMAKRXAZQO-SXMVJOELSA-N
MW315.38 g/mol
LogP4.27
Rot. Bonds5

About (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine

(2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine (PubChem CID 160634124) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine.

Molecular Properties

Compound Name(2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine
PubChem CID160634124
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name(2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine
SMILESCOCC(F)(F)C(c1ccc(F)cc1)N1C[C@H](C)CC[C@H]1C
InChIInChI=1S/C17H24F3NO/c1-12-4-5-13(2)21(10-12)16(17(19,20)11-22-3)14-6-8-15(18)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3/t12-,13-,16?/m1/s1
InChIKeyRIHSWMAKRXAZQO-SXMVJOELSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine?
The IUPAC name of (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine (CID 160634124) is (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine.
What is the SMILES notation for (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine?
The canonical SMILES for (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine is COCC(F)(F)C(c1ccc(F)cc1)N1C[C@H](C)CC[C@H]1C.
What is the InChIKey of (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine?
The InChIKey is RIHSWMAKRXAZQO-SXMVJOELSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-12-4-5-13(2)21(10-12)16(17(19,20)11-22-3)14-6-8-15(18)9-7-14/h6-9,12-13,16H,4-5,10-11H2,1-3H3/t12-,13-,16?/m1/s1.
What are the key properties of (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine?
(2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine has a molecular weight of 315.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2,2-difluoro-1-(4-fluorophenyl)-3-methoxypropyl]-2,5-dimethylpiperidine is sourced from PubChem (CID 160634124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).