2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine

C11H14F3N3O — CID 82666009

IUPAC2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine
SMILESCOc1ncc(C2CCCNC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-18-10-16-6-8(7-3-2-4-15-5-7)9(17-10)11(12,13)14/h6-7,15H,2-5H2,1H3
InChIKeyLTZGACPCEFPMIF-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.97
Rot. Bonds2

About 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine

2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 82666009) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine
PubChem CID82666009
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine
SMILESCOc1ncc(C2CCCNC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O/c1-18-10-16-6-8(7-3-2-4-15-5-7)9(17-10)11(12,13)14/h6-7,15H,2-5H2,1H3
InChIKeyLTZGACPCEFPMIF-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
3-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 105492309
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
3-(5-methoxy-1-methylpyrazol-4-yl)piperidine
CID 82606364
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
3-(4-methoxyphenyl)piperidine
CID 12937920
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine (CID 82666009) is 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine is COc1ncc(C2CCCNC2)c(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is LTZGACPCEFPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-10-16-6-8(7-3-2-4-15-5-7)9(17-10)11(12,13)14/h6-7,15H,2-5H2,1H3.
What are the key properties of 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine?
2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 82666009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).