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

C14H19F3N4 — CID 64585888

IUPACN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccnc(N2CCCCC2CNC2CC2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-6-7-18-13(20-12)21-8-2-1-3-11(21)9-19-10-4-5-10/h6-7,10-11,19H,1-5,8-9H2
InChIKeyWABZFMMMBVKIDJ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.61
Rot. Bonds4

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

N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 64585888) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
PubChem CID64585888
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccnc(N2CCCCC2CNC2CC2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-6-7-18-13(20-12)21-8-2-1-3-11(21)9-19-10-4-5-10/h6-7,10-11,19H,1-5,8-9H2
InChIKeyWABZFMMMBVKIDJ-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]methanesulfonamide
CID 94063930
N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62592511
methyl 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetate
CID 64585502
2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 56778071
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 115975643
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
N-[[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 112639097
N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
CID 83104206
N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62734943
2-methyl-N-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 55219733
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 166068939
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 114787647

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine (CID 64585888) is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine is FC(F)(F)c1ccnc(N2CCCCC2CNC2CC2)n1.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is WABZFMMMBVKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)12-6-7-18-13(20-12)21-8-2-1-3-11(21)9-19-10-4-5-10/h6-7,10-11,19H,1-5,8-9H2.
What are the key properties of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine?
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 300.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64585888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).