5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine

C15H22F3N3 — CID 142021054

IUPAC5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine
SMILESCCN1CCC(CCCc2cnc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C15H22F3N3/c1-2-21-8-6-12(7-9-21)4-3-5-13-10-19-14(20-11-13)15(16,17)18/h10-12H,2-9H2,1H3
InChIKeyFMCQMKGKTYMSLK-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.55
Rot. Bonds5

About 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine

5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 142021054) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine
PubChem CID142021054
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine
SMILESCCN1CCC(CCCc2cnc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C15H22F3N3/c1-2-21-8-6-12(7-9-21)4-3-5-13-10-19-14(20-11-13)15(16,17)18/h10-12H,2-9H2,1H3
InChIKeyFMCQMKGKTYMSLK-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine (CID 142021054) is 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine is CCN1CCC(CCCc2cnc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is FMCQMKGKTYMSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-2-21-8-6-12(7-9-21)4-3-5-13-10-19-14(20-11-13)15(16,17)18/h10-12H,2-9H2,1H3.
What are the key properties of 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine?
5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 301.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-ethylpiperidin-4-yl)propyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 142021054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).