2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine

C16H15BrF3N3 — CID 90905959

IUPAC2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(C2CCCCN2c2ncccn2)ccc1Br
InChIInChI=1S/C16H15BrF3N3/c17-13-6-5-11(10-12(13)16(18,19)20)14-4-1-2-9-23(14)15-21-7-3-8-22-15/h3,5-8,10,14H,1-2,4,9H2
InChIKeySGVHKIASVALEIP-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.99
Rot. Bonds2

About 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine

2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine (PubChem CID 90905959) has the molecular formula C16H15BrF3N3 and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine
PubChem CID90905959
Molecular FormulaC16H15BrF3N3
Molecular Weight386.22 g/mol
Exact Mass385.04
IUPAC Name2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(C2CCCCN2c2ncccn2)ccc1Br
InChIInChI=1S/C16H15BrF3N3/c17-13-6-5-11(10-12(13)16(18,19)20)14-4-1-2-9-23(14)15-21-7-3-8-22-15/h3,5-8,10,14H,1-2,4,9H2
InChIKeySGVHKIASVALEIP-UHFFFAOYSA-N
XLogP4.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)piperidin-1-yl]pyrimidine
CID 154749859
7-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 124958467
4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 167798581
N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
CID 124949904
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 31536956
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 156774048
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
4-bromo-N-(3-cyclopropylcyclohexyl)-3-(trifluoromethyl)aniline
CID 64595837
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
2-(2-thiophen-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 55635999

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine (CID 90905959) is 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine is FC(F)(F)c1cc(C2CCCCN2c2ncccn2)ccc1Br.
What is the InChIKey of 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine?
The InChIKey is SGVHKIASVALEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N3/c17-13-6-5-11(10-12(13)16(18,19)20)14-4-1-2-9-23(14)15-21-7-3-8-22-15/h3,5-8,10,14H,1-2,4,9H2.
What are the key properties of 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine?
2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine has a molecular weight of 386.22 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 90905959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).