4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine

C16H17F2N3 — CID 124953340

IUPAC4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
SMILESFc1ccc(F)c(CN2CCCC[C@H]2c2ccncn2)c1
InChIInChI=1S/C16H17F2N3/c17-13-4-5-14(18)12(9-13)10-21-8-2-1-3-16(21)15-6-7-19-11-20-15/h4-7,9,11,16H,1-3,8,10H2/t16-/m0/s1
InChIKeyDURZIYNJXBXJHI-INIZCTEOSA-N
MW289.33 g/mol
LogP3.48
Rot. Bonds3

About 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine

4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine (PubChem CID 124953340) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
PubChem CID124953340
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
SMILESFc1ccc(F)c(CN2CCCC[C@H]2c2ccncn2)c1
InChIInChI=1S/C16H17F2N3/c17-13-4-5-14(18)12(9-13)10-21-8-2-1-3-16(21)15-6-7-19-11-20-15/h4-7,9,11,16H,1-3,8,10H2/t16-/m0/s1
InChIKeyDURZIYNJXBXJHI-INIZCTEOSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-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

4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 110271171
2-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 124941847
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
2-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124975597
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine?
The IUPAC name of 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine (CID 124953340) is 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine is Fc1ccc(F)c(CN2CCCC[C@H]2c2ccncn2)c1.
What is the InChIKey of 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine?
The InChIKey is DURZIYNJXBXJHI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-13-4-5-14(18)12(9-13)10-21-8-2-1-3-16(21)15-6-7-19-11-20-15/h4-7,9,11,16H,1-3,8,10H2/t16-/m0/s1.
What are the key properties of 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine?
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine has a molecular weight of 289.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine is sourced from PubChem (CID 124953340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).