N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine

C14H25F3N2O — CID 62580255

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-20-8-2-7-19-6-1-3-12(10-19)9-18-13-4-5-13/h12-13,18H,1-11H2
InChIKeyYCHKGWZARGMNHQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62580255) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62580255
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-20-8-2-7-19-6-1-3-12(10-19)9-18-13-4-5-13/h12-13,18H,1-11H2
InChIKeyYCHKGWZARGMNHQ-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine (CID 62580255) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine is FC(F)(F)COCCCN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is YCHKGWZARGMNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)11-20-8-2-7-19-6-1-3-12(10-19)9-18-13-4-5-13/h12-13,18H,1-11H2.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62580255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).