N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine

C10H19F3N2 — CID 134434451

IUPACN-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
SMILESCNC1CC(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H19F3N2/c1-7(2)15-5-8(10(11,12)13)4-9(6-15)14-3/h7-9,14H,4-6H2,1-3H3
InChIKeyGQTOVCWWXYMKHA-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds2

About N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine

N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 134434451) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
PubChem CID134434451
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine
SMILESCNC1CC(C(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C10H19F3N2/c1-7(2)15-5-8(10(11,12)13)4-9(6-15)14-3/h7-9,14H,4-6H2,1-3H3
InChIKeyGQTOVCWWXYMKHA-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine (CID 134434451) is N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine is CNC1CC(C(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
The InChIKey is GQTOVCWWXYMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-7(2)15-5-8(10(11,12)13)4-9(6-15)14-3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine?
N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 134434451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).