N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H21F3N2 — CID 58547475

IUPACN-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)N1CCC(N(C)CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)16-6-4-10(5-7-16)15(3)8-11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyPFGXPUQBOJTUML-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 58547475) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID58547475
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)N1CCC(N(C)CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)16-6-4-10(5-7-16)15(3)8-11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyPFGXPUQBOJTUML-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 58547475) is N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)N1CCC(N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PFGXPUQBOJTUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2)16-6-4-10(5-7-16)15(3)8-11(12,13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 238.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 58547475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).