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

C23H26ClF6NO — CID 22918537

IUPAC4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride
SMILESCOC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C23H25F6NO.ClH/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;1H
InChIKeyUGQNLUNPDXRHPF-UHFFFAOYSA-N
MW481.91 g/mol
LogP6.41
Rot. Bonds6

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

4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride (PubChem CID 22918537) has the molecular formula C23H26ClF6NO and a molecular weight of 481.91 g/mol. Its IUPAC name is 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride
PubChem CID22918537
Molecular FormulaC23H26ClF6NO
Molecular Weight481.91 g/mol
Exact Mass481.16
IUPAC Name4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride
SMILESCOC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C23H25F6NO.ClH/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;1H
InChIKeyUGQNLUNPDXRHPF-UHFFFAOYSA-N
XLogP6.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.91
LogP ≤ 56.41
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;hydrochloride?
The IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride (CID 22918537) is 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride is COC(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1.Cl.
What is the InChIKey of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride?
The InChIKey is UGQNLUNPDXRHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6NO.ClH/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;1H.
What are the key properties of 4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride?
4-[3-[3,5-bis(trifluoromethyl)phenyl]-1-methoxypropyl]-4-phenylpiperidine;hydrochloride has a molecular weight of 481.91 g/mol, XLogP of 6.41, 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;hydrochloride is sourced from PubChem (CID 22918537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).