N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine

C17H20F6N2 — CID 169490369

IUPACN-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(N2CCCC(C(F)(F)F)C2)c(CNC2CC2)c1
InChIInChI=1S/C17H20F6N2/c18-16(19,20)12-3-6-15(11(8-12)9-24-14-4-5-14)25-7-1-2-13(10-25)17(21,22)23/h3,6,8,13-14,24H,1-2,4-5,7,9-10H2
InChIKeyGZIWPQYVLKZTNQ-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.74
Rot. Bonds4

About N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine

N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine (PubChem CID 169490369) has the molecular formula C17H20F6N2 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
PubChem CID169490369
Molecular FormulaC17H20F6N2
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC NameN-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccc(N2CCCC(C(F)(F)F)C2)c(CNC2CC2)c1
InChIInChI=1S/C17H20F6N2/c18-16(19,20)12-3-6-15(11(8-12)9-24-14-4-5-14)25-7-1-2-13(10-25)17(21,22)23/h3,6,8,13-14,24H,1-2,4-5,7,9-10H2
InChIKeyGZIWPQYVLKZTNQ-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine (CID 169490369) is N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine is FC(F)(F)c1ccc(N2CCCC(C(F)(F)F)C2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
The InChIKey is GZIWPQYVLKZTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2/c18-16(19,20)12-3-6-15(11(8-12)9-24-14-4-5-14)25-7-1-2-13(10-25)17(21,22)23/h3,6,8,13-14,24H,1-2,4-5,7,9-10H2.
What are the key properties of N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine?
N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine has a molecular weight of 366.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 169490369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).