2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine

C10H12F3N3 — CID 174795905

IUPAC2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCCN1c1ncccn1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-4-1-2-7-16(8)9-14-5-3-6-15-9/h3,5-6,8H,1-2,4,7H2
InChIKeyKDYLLBFQRBEHAZ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.40
Rot. Bonds1

About 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine

2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 174795905) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID174795905
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCCN1c1ncccn1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-4-1-2-7-16(8)9-14-5-3-6-15-9/h3,5-6,8H,1-2,4,7H2
InChIKeyKDYLLBFQRBEHAZ-UHFFFAOYSA-N
XLogP2.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexylpyrimidin-2-amine
CID 21252719
2-(Piperidin-1-yl)pyrimidine
CID 11446518
2-(Pyrrolidin-1-yl)pyrimidine
CID 12099397
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
2-(Trifluoromethyl)pyrimidine
CID 14007756
2-(Heptafluoropropyl)pyrimidine
CID 14007760
4-(4-Aminopiperidin-1-yl)pyrimidin-2-amine
CID 49857012
4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 49857015
Pyrimidine Dimer
CID 22057568
Pyrimidin-2-ylsulfanyl piperidine-1-carbodithioate
CID 145949724
2,4-Di(piperidin-1-yl)pyrimidine
CID 239987

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 174795905) is 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)C1CCCCN1c1ncccn1.
What is the InChIKey of 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is KDYLLBFQRBEHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-4-1-2-7-16(8)9-14-5-3-6-15-9/h3,5-6,8H,1-2,4,7H2.
What are the key properties of 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine?
2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 231.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 174795905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).