N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H23F3N2 — CID 63129604

IUPACN-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C13H23F3N2/c1-2-12(5-7-17-8-6-12)9-18(11-3-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyBUWRZMOAEMBLKY-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63129604) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63129604
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C13H23F3N2/c1-2-12(5-7-17-8-6-12)9-18(11-3-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyBUWRZMOAEMBLKY-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63129604) is N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCC1(CN(CC(F)(F)F)C2CC2)CCNCC1.
What is the InChIKey of N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is BUWRZMOAEMBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-12(5-7-17-8-6-12)9-18(11-3-4-11)10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63129604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).