2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine

C14H18F3N — CID 115058979

IUPAC2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCC1(Cc2ccc(C(F)(F)F)cc2)CCCCN1
InChIInChI=1S/C14H18F3N/c1-13(8-2-3-9-18-13)10-11-4-6-12(7-5-11)14(15,16)17/h4-7,18H,2-3,8-10H2,1H3
InChIKeyGUGSDIALIRCRRT-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.78
Rot. Bonds2

About 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine

2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 115058979) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID115058979
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCC1(Cc2ccc(C(F)(F)F)cc2)CCCCN1
InChIInChI=1S/C14H18F3N/c1-13(8-2-3-9-18-13)10-11-4-6-12(7-5-11)14(15,16)17/h4-7,18H,2-3,8-10H2,1H3
InChIKeyGUGSDIALIRCRRT-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 115058979) is 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine is CC1(Cc2ccc(C(F)(F)F)cc2)CCCCN1.
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is GUGSDIALIRCRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-13(8-2-3-9-18-13)10-11-4-6-12(7-5-11)14(15,16)17/h4-7,18H,2-3,8-10H2,1H3.
What are the key properties of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 257.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 115058979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).