2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine

C11H15F2N3 — CID 168939087

IUPAC2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine
SMILESCc1cnc(CN2CCCC(F)(F)C2)nc1
InChIInChI=1S/C11H15F2N3/c1-9-5-14-10(15-6-9)7-16-4-2-3-11(12,13)8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyVANPMTUSUAZMMC-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.02
Rot. Bonds2

About 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine

2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine (PubChem CID 168939087) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine
PubChem CID168939087
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine
SMILESCc1cnc(CN2CCCC(F)(F)C2)nc1
InChIInChI=1S/C11H15F2N3/c1-9-5-14-10(15-6-9)7-16-4-2-3-11(12,13)8-16/h5-6H,2-4,7-8H2,1H3
InChIKeyVANPMTUSUAZMMC-UHFFFAOYSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2,6-dimethylphenyl)methyl]-3,3-difluoropiperidine
CID 172876555
3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine
CID 58115746
2-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-4-methylpyrimidine
CID 129349414
3,3-difluoro-1-[[5-methyl-4-(trifluoromethyl)thiophen-2-yl]methyl]piperidine;ethane
CID 143819427
3,3-difluoro-1-[(3-propan-2-ylphenyl)methyl]piperidine
CID 162545804
ethane;1-ethyl-3,3-difluoropiperidine;2-ethyltriazole
CID 143819268
5-[(3,3-difluoropiperidin-1-yl)methyl]-2-(2-phenylethynyl)-1,3-thiazole
CID 58227547
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
1-[(4-bromo-5-ethylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 70803730
3,3-difluoro-1-[(4-nitrophenyl)methyl]piperidine
CID 59410283
5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine
CID 158164356
4-[[(3R)-3-fluoro-3-methylpiperidin-1-yl]methyl]-6-methylpyrimidine
CID 129488024

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine?
The IUPAC name of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine (CID 168939087) is 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine?
The canonical SMILES for 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine is Cc1cnc(CN2CCCC(F)(F)C2)nc1.
What is the InChIKey of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine?
The InChIKey is VANPMTUSUAZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-9-5-14-10(15-6-9)7-16-4-2-3-11(12,13)8-16/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine?
2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine has a molecular weight of 227.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropiperidin-1-yl)methyl]-5-methylpyrimidine is sourced from PubChem (CID 168939087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).