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

C14H18F3N — CID 58830728

IUPAC1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCN1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N/c1-18-8-6-12(7-9-18)10-11-2-4-13(5-3-11)14(15,16)17/h2-5,12H,6-10H2,1H3
InChIKeyMKOGGYGLWXXPAF-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.59
Rot. Bonds2

About 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine

1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 58830728) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID58830728
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCN1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3N/c1-18-8-6-12(7-9-18)10-11-2-4-13(5-3-11)14(15,16)17/h2-5,12H,6-10H2,1H3
InChIKeyMKOGGYGLWXXPAF-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Fenpropidin
CID 91694
Fenpiprane
CID 197785
Piperidine, 1-(2-phenylethyl)-
CID 9513
Diphemanil
CID 6127
Tolpropamine
CID 72141
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
Enefexine
CID 208916
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
1-[3-(4-Tert-butylphenyl)-2-methylpropyl]-1-oxidopiperidin-1-ium
CID 20300953
MPTP hydrochloride
CID 161406
Pimetine
CID 21091
Piperidine, 4-(diphenylmethylene)-1-methyl-
CID 95734

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine (CID 58830728) is 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine is CN1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is MKOGGYGLWXXPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-18-8-6-12(7-9-18)10-11-2-4-13(5-3-11)14(15,16)17/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine?
1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 257.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 58830728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).