2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine

C14H19F3N4 — CID 64584892

IUPAC2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-5-7-19-13(20-12)21-8-2-3-10(9-21)11-4-1-6-18-11/h5,7,10-11,18H,1-4,6,8-9H2
InChIKeyPTWRRRSUDFUWMD-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.46
Rot. Bonds2

About 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine

2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 64584892) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID64584892
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCCC(C3CCCN3)C2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-5-7-19-13(20-12)21-8-2-3-10(9-21)11-4-1-6-18-11/h5,7,10-11,18H,1-4,6,8-9H2
InChIKeyPTWRRRSUDFUWMD-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine (CID 64584892) is 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCCC(C3CCCN3)C2)n1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is PTWRRRSUDFUWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)12-5-7-19-13(20-12)21-8-2-3-10(9-21)11-4-1-6-18-11/h5,7,10-11,18H,1-4,6,8-9H2.
What are the key properties of 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 300.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64584892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).