4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine

C23H25F6NO — CID 22918538

IUPAC4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine
SMILESCOC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C23H25F6NO/c1-31-20(21(9-11-30-12-10-21)17-5-3-2-4-6-17)8-7-16-13-18(22(24,25)26)15-19(14-16)23(27,28)29/h2-6,13-15,20,30H,7-12H2,1H3
InChIKeyQQWFWIWXIPYRJB-UHFFFAOYSA-N
MW445.45 g/mol
LogP5.99
Rot. Bonds6

About 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine

4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine (PubChem CID 22918538) has the molecular formula C23H25F6NO and a molecular weight of 445.45 g/mol. Its IUPAC name is 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine
PubChem CID22918538
Molecular FormulaC23H25F6NO
Molecular Weight445.45 g/mol
Exact Mass445.18
IUPAC Name4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine
SMILESCOC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C23H25F6NO/c1-31-20(21(9-11-30-12-10-21)17-5-3-2-4-6-17)8-7-16-13-18(22(24,25)26)15-19(14-16)23(27,28)29/h2-6,13-15,20,30H,7-12H2,1H3
InChIKeyQQWFWIWXIPYRJB-UHFFFAOYSA-N
XLogP5.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.45
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine?
The IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine (CID 22918538) is 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine?
The canonical SMILES for 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine is COC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine?
The InChIKey is QQWFWIWXIPYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6NO/c1-31-20(21(9-11-30-12-10-21)17-5-3-2-4-6-17)8-7-16-13-18(22(24,25)26)15-19(14-16)23(27,28)29/h2-6,13-15,20,30H,7-12H2,1H3.
What are the key properties of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine?
4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine has a molecular weight of 445.45 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine is sourced from PubChem (CID 22918538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).