1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine

C13H23F3N2 — CID 70974053

IUPAC1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine
SMILESCN1CCC(C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H23F3N2/c1-17-6-2-11(3-7-17)12-4-8-18(9-5-12)10-13(14,15)16/h11-12H,2-10H2,1H3
InChIKeyRDXDFQMRBGKBRN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.60
Rot. Bonds2

About 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine

1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine (PubChem CID 70974053) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine
PubChem CID70974053
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine
SMILESCN1CCC(C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H23F3N2/c1-17-6-2-11(3-7-17)12-4-8-18(9-5-12)10-13(14,15)16/h11-12H,2-10H2,1H3
InChIKeyRDXDFQMRBGKBRN-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine?
The IUPAC name of 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine (CID 70974053) is 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine?
The canonical SMILES for 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine is CN1CCC(C2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine?
The InChIKey is RDXDFQMRBGKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-17-6-2-11(3-7-17)12-4-8-18(9-5-12)10-13(14,15)16/h11-12H,2-10H2,1H3.
What are the key properties of 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine?
1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine has a molecular weight of 264.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine is sourced from PubChem (CID 70974053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).