1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine

C26H29F6NO — CID 11547594

IUPAC1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCC(N3CCCCC3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H29F6NO/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)17-34-18-24(20-7-3-1-4-8-20)10-9-23(16-24)33-11-5-2-6-12-33/h1,3-4,7-8,13-15,23H,2,5-6,9-12,16-18H2
InChIKeySVNARMJNQZDVGN-UHFFFAOYSA-N
MW485.51 g/mol
LogP7.22
Rot. Bonds6

About 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine

1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine (PubChem CID 11547594) has the molecular formula C26H29F6NO and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine.

Molecular Properties

Compound Name1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine
PubChem CID11547594
Molecular FormulaC26H29F6NO
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCC(N3CCCCC3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H29F6NO/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)17-34-18-24(20-7-3-1-4-8-20)10-9-23(16-24)33-11-5-2-6-12-33/h1,3-4,7-8,13-15,23H,2,5-6,9-12,16-18H2
InChIKeySVNARMJNQZDVGN-UHFFFAOYSA-N
XLogP7.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine?
The IUPAC name of 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine (CID 11547594) is 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine.
What is the SMILES notation for 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine?
The canonical SMILES for 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCC(N3CCCCC3)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine?
The InChIKey is SVNARMJNQZDVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F6NO/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)17-34-18-24(20-7-3-1-4-8-20)10-9-23(16-24)33-11-5-2-6-12-33/h1,3-4,7-8,13-15,23H,2,5-6,9-12,16-18H2.
What are the key properties of 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine?
1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine has a molecular weight of 485.51 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-phenylcyclopentyl]piperidine is sourced from PubChem (CID 11547594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).