1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol

C11H15ClFN3O — CID 156640978

IUPAC1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol
SMILESCC1(CF)CN(c2cc(Cl)ncn2)CCC1O
InChIInChI=1S/C11H15ClFN3O/c1-11(5-13)6-16(3-2-8(11)17)10-4-9(12)14-7-15-10/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeyAIRSFYONEYSZPW-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.68
Rot. Bonds2

About 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol

1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol (PubChem CID 156640978) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol
PubChem CID156640978
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol
SMILESCC1(CF)CN(c2cc(Cl)ncn2)CCC1O
InChIInChI=1S/C11H15ClFN3O/c1-11(5-13)6-16(3-2-8(11)17)10-4-9(12)14-7-15-10/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeyAIRSFYONEYSZPW-UHFFFAOYSA-N
XLogP1.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
(1-(((6-Chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385206
(3RS,4SR)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol
CID 90176709
(4S,5R)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol
CID 90183806
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methyl-piperidin-4-ol
CID 90184060
(3S,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-3-methylpiperidin-4-ol
CID 90184061
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
1-(4-Aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol
CID 117802200
(4S)-1-(4-aminopyrimidin-2-yl)-5-fluoro-3,3-dimethylpiperidin-4-ol
CID 130257078
(+/-)-1-(4-Aminopyrimidin-2-yl)-cis-5-fluoro-3,3-dimethylpiperidin-4-ol
CID 131745622
2-[(3R,4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550216
2-[(3S,4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550217

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol (CID 156640978) is 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol is CC1(CF)CN(c2cc(Cl)ncn2)CCC1O.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol?
The InChIKey is AIRSFYONEYSZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-11(5-13)6-16(3-2-8(11)17)10-4-9(12)14-7-15-10/h4,7-8,17H,2-3,5-6H2,1H3.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol?
1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol has a molecular weight of 259.71 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 156640978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).