1,3-dimethyl-4-(trifluoromethyl)piperidine

C8H14F3N — CID 58944832

IUPAC1,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCC1CN(C)CCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6-5-12(2)4-3-7(6)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyKYYODCRZZMVXJJ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.14
Rot. Bonds

About 1,3-dimethyl-4-(trifluoromethyl)piperidine

1,3-dimethyl-4-(trifluoromethyl)piperidine (PubChem CID 58944832) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1,3-dimethyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1,3-dimethyl-4-(trifluoromethyl)piperidine
PubChem CID58944832
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1,3-dimethyl-4-(trifluoromethyl)piperidine
SMILESCC1CN(C)CCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6-5-12(2)4-3-7(6)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyKYYODCRZZMVXJJ-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1,3-dimethyl-4-(trifluoromethyl)piperidine (CID 58944832) is 1,3-dimethyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1,3-dimethyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1,3-dimethyl-4-(trifluoromethyl)piperidine is CC1CN(C)CCC1C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-4-(trifluoromethyl)piperidine?
The InChIKey is KYYODCRZZMVXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6-5-12(2)4-3-7(6)8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(trifluoromethyl)piperidine?
1,3-dimethyl-4-(trifluoromethyl)piperidine has a molecular weight of 181.20 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 58944832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).