4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine

C17H18F3N3O — CID 3240994

IUPAC4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H18F3N3O/c1-24-13-7-5-6-12(10-13)14-11-15(17(18,19)20)22-16(21-14)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyCHCSSKICPPSTFH-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine

4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 3240994) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID3240994
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H18F3N3O/c1-24-13-7-5-6-12(10-13)14-11-15(17(18,19)20)22-16(21-14)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyCHCSSKICPPSTFH-UHFFFAOYSA-N
XLogP4.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine (CID 3240994) is 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine is COc1cccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CHCSSKICPPSTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-24-13-7-5-6-12(10-13)14-11-15(17(18,19)20)22-16(21-14)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine?
4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 337.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-piperidin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3240994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).