N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine

C13H23F3N2 — CID 62568056

IUPACN-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine
SMILESFC(F)(F)C1CCCN(CCCCNC2CC2)C1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)11-4-3-9-18(10-11)8-2-1-7-17-12-5-6-12/h11-12,17H,1-10H2
InChIKeyOQJJFCYWTYFDMR-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.79
Rot. Bonds6

About N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine

N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine (PubChem CID 62568056) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine
PubChem CID62568056
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine
SMILESFC(F)(F)C1CCCN(CCCCNC2CC2)C1
InChIInChI=1S/C13H23F3N2/c14-13(15,16)11-4-3-9-18(10-11)8-2-1-7-17-12-5-6-12/h11-12,17H,1-10H2
InChIKeyOQJJFCYWTYFDMR-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

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-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine (CID 62568056) is N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine is FC(F)(F)C1CCCN(CCCCNC2CC2)C1.
What is the InChIKey of N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine?
The InChIKey is OQJJFCYWTYFDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c14-13(15,16)11-4-3-9-18(10-11)8-2-1-7-17-12-5-6-12/h11-12,17H,1-10H2.
What are the key properties of N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine?
N-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]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-[4-[3-(trifluoromethyl)piperidin-1-yl]butyl]cyclopropanamine is sourced from PubChem (CID 62568056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).