2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine

C26H33F3N2O — CID 175211251

IUPAC2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H33F3N2O/c1-25(32-20-22-7-3-2-4-8-22)15-5-6-16-31(25)19-21-13-17-30(18-14-21)24-11-9-23(10-12-24)26(27,28)29/h2-4,7-12,21H,5-6,13-20H2,1H3
InChIKeyPWVDUVBJYUSUFD-UHFFFAOYSA-N
MW446.56 g/mol
LogP6.34
Rot. Bonds6

About 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine

2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine (PubChem CID 175211251) has the molecular formula C26H33F3N2O and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
PubChem CID175211251
Molecular FormulaC26H33F3N2O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H33F3N2O/c1-25(32-20-22-7-3-2-4-8-22)15-5-6-16-31(25)19-21-13-17-30(18-14-21)24-11-9-23(10-12-24)26(27,28)29/h2-4,7-12,21H,5-6,13-20H2,1H3
InChIKeyPWVDUVBJYUSUFD-UHFFFAOYSA-N
XLogP6.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine?
The IUPAC name of 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine (CID 175211251) is 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine is CC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine?
The InChIKey is PWVDUVBJYUSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N2O/c1-25(32-20-22-7-3-2-4-8-22)15-5-6-16-31(25)19-21-13-17-30(18-14-21)24-11-9-23(10-12-24)26(27,28)29/h2-4,7-12,21H,5-6,13-20H2,1H3.
What are the key properties of 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine?
2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine has a molecular weight of 446.56 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 175211251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).