N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H23F3N2 — CID 62213249

IUPACN-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCCC1CCNCC1)C1CC1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)10-18(12-3-4-12)9-1-2-11-5-7-17-8-6-11/h11-12,17H,1-10H2
InChIKeyOZIMEUNOBBRLNG-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds6

About N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62213249) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62213249
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCCC1CCNCC1)C1CC1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)10-18(12-3-4-12)9-1-2-11-5-7-17-8-6-11/h11-12,17H,1-10H2
InChIKeyOZIMEUNOBBRLNG-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62213249) is N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CCCC1CCNCC1)C1CC1.
What is the InChIKey of N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is OZIMEUNOBBRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)10-18(12-3-4-12)9-1-2-11-5-7-17-8-6-11/h11-12,17H,1-10H2.
What are the key properties of N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 264.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-ylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62213249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).