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

C11H14F3N3O — CID 126817206

IUPAC4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O/c1-18-9-4-5-15-10(16-9)17-6-2-3-8(7-17)11(12,13)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGORFXSSXFZHAMR-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.26
Rot. Bonds2

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

4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 126817206) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID126817206
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O/c1-18-9-4-5-15-10(16-9)17-6-2-3-8(7-17)11(12,13)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyGORFXSSXFZHAMR-UHFFFAOYSA-N
XLogP2.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
6-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 115320894
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
4-(1-methylpyrazol-4-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 31125821
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
4-methoxy-2-[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]pyrimidine
CID 124575255
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
(3S)-N-cyclopentyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-sulfonamide
CID 124736119
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 126817206) is 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is GORFXSSXFZHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-9-4-5-15-10(16-9)17-6-2-3-8(7-17)11(12,13)14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 126817206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).