N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine

C13H21F3N2 — CID 103070865

IUPACN-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c1-10(8-17-12-2-3-12)9-18-6-4-11(5-7-18)13(14,15)16/h11-12,17H,1-9H2
InChIKeyNTKVHASYXFLDIC-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine

N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103070865) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine
PubChem CID103070865
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC NameN-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2/c1-10(8-17-12-2-3-12)9-18-6-4-11(5-7-18)13(14,15)16/h11-12,17H,1-9H2
InChIKeyNTKVHASYXFLDIC-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine (CID 103070865) is N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is NTKVHASYXFLDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-10(8-17-12-2-3-12)9-18-6-4-11(5-7-18)13(14,15)16/h11-12,17H,1-9H2.
What are the key properties of N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 262.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103070865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).