N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine

C12H21F3N2 — CID 62568575

IUPACN-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
SMILESFC(F)(F)C1CCCN(CCCNC2CC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)10-3-1-7-17(9-10)8-2-6-16-11-4-5-11/h10-11,16H,1-9H2
InChIKeyHBWGXFOAHBGCPA-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds5

About N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine

N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine (PubChem CID 62568575) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
PubChem CID62568575
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine
SMILESFC(F)(F)C1CCCN(CCCNC2CC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)10-3-1-7-17(9-10)8-2-6-16-11-4-5-11/h10-11,16H,1-9H2
InChIKeyHBWGXFOAHBGCPA-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine (CID 62568575) is N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine is FC(F)(F)C1CCCN(CCCNC2CC2)C1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
The InChIKey is HBWGXFOAHBGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)10-3-1-7-17(9-10)8-2-6-16-11-4-5-11/h10-11,16H,1-9H2.
What are the key properties of N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine?
N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropanamine is sourced from PubChem (CID 62568575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).