4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine

C22H21F6N5O — CID 24785445

IUPAC4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-n2nnnc2C(F)(F)F)c1
InChIInChI=1S/C22H21F6N5O/c23-21(24,25)17-10-15(11-18(12-17)33-19(22(26,27)28)30-31-32-33)13-34-14-20(6-8-29-9-7-20)16-4-2-1-3-5-16/h1-5,10-12,29H,6-9,13-14H2
InChIKeyFCEHSHIDOMJCPN-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.54
Rot. Bonds6

About 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine

4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine (PubChem CID 24785445) has the molecular formula C22H21F6N5O and a molecular weight of 485.43 g/mol. Its IUPAC name is 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine
PubChem CID24785445
Molecular FormulaC22H21F6N5O
Molecular Weight485.43 g/mol
Exact Mass485.17
IUPAC Name4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-n2nnnc2C(F)(F)F)c1
InChIInChI=1S/C22H21F6N5O/c23-21(24,25)17-10-15(11-18(12-17)33-19(22(26,27)28)30-31-32-33)13-34-14-20(6-8-29-9-7-20)16-4-2-1-3-5-16/h1-5,10-12,29H,6-9,13-14H2
InChIKeyFCEHSHIDOMJCPN-UHFFFAOYSA-N
XLogP4.54
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine?
The IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine (CID 24785445) is 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine.
What is the SMILES notation for 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine?
The canonical SMILES for 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-n2nnnc2C(F)(F)F)c1.
What is the InChIKey of 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine?
The InChIKey is FCEHSHIDOMJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N5O/c23-21(24,25)17-10-15(11-18(12-17)33-19(22(26,27)28)30-31-32-33)13-34-14-20(6-8-29-9-7-20)16-4-2-1-3-5-16/h1-5,10-12,29H,6-9,13-14H2.
What are the key properties of 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine?
4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine has a molecular weight of 485.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[3-(trifluoromethyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 24785445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).