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

C9H18F3N3 — CID 65377184

IUPAC4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN1CCC(CN)(NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3/c1-15-4-2-8(6-13,3-5-15)14-7-9(10,11)12/h14H,2-7,13H2,1H3
InChIKeyFHWKEGRAXXVMQM-UHFFFAOYSA-N
MW225.26 g/mol
LogP0.56
Rot. Bonds3

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

4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 65377184) has the molecular formula C9H18F3N3 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID65377184
Molecular FormulaC9H18F3N3
Molecular Weight225.26 g/mol
Exact Mass225.15
IUPAC Name4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCN1CCC(CN)(NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3/c1-15-4-2-8(6-13,3-5-15)14-7-9(10,11)12/h14H,2-7,13H2,1H3
InChIKeyFHWKEGRAXXVMQM-UHFFFAOYSA-N
XLogP0.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 65377184) is 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CN1CCC(CN)(NCC(F)(F)F)CC1.
What is the InChIKey of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is FHWKEGRAXXVMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3/c1-15-4-2-8(6-13,3-5-15)14-7-9(10,11)12/h14H,2-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 225.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 65377184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).