4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine

C11H16FN3O — CID 106588145

IUPAC4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine
SMILESCOCC1CCCN(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c1-16-7-9-3-2-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyMHAIFKOCYUPEII-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.48
Rot. Bonds3

About 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine

4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 106588145) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine
PubChem CID106588145
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine
SMILESCOCC1CCCN(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c1-16-7-9-3-2-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyMHAIFKOCYUPEII-UHFFFAOYSA-N
XLogP1.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
[(3S*,5R*)-1-[6-(dimethylamino)-4-pyrimidinyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72850884
4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 75478883
1-(2-Propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane
CID 136536549
2-Fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine
CID 134589712
2-But-2-ynoxy-4-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 141432577
5-Fluoro-2-(5-methoxypentan-2-yl)pyrimidine
CID 142359239
2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156538103
2-[(3R,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156538663
2-[(3S,4S)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156538680
2-(3-fluoro-4-methoxy-3-methyl-1-piperidinyl)-4-Pyrimidinamine
CID 156538688
2-[(3R,4S)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550451

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine (CID 106588145) is 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine is COCC1CCCN(c2cc(F)ncn2)C1.
What is the InChIKey of 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is MHAIFKOCYUPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-7-9-3-2-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine?
4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 106588145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).