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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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).