[1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol

C13H21FN4O2 — CID 122558726

IUPAC[1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCOc1nc(NCCN2CCC(CO)CC2)ncc1F
InChIInChI=1S/C13H21FN4O2/c1-20-12-11(14)8-16-13(17-12)15-4-7-18-5-2-10(9-19)3-6-18/h8,10,19H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyKMEPWMAELMYEMG-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.74
Rot. Bonds6

About [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol

[1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol (PubChem CID 122558726) has the molecular formula C13H21FN4O2 and a molecular weight of 284.33 g/mol. Its IUPAC name is [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
PubChem CID122558726
Molecular FormulaC13H21FN4O2
Molecular Weight284.33 g/mol
Exact Mass284.16
IUPAC Name[1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCOc1nc(NCCN2CCC(CO)CC2)ncc1F
InChIInChI=1S/C13H21FN4O2/c1-20-12-11(14)8-16-13(17-12)15-4-7-18-5-2-10(9-19)3-6-18/h8,10,19H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyKMEPWMAELMYEMG-UHFFFAOYSA-N
XLogP0.74
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]methyl}cyclopentyl)methanol
CID 122560704
(1-{2-[(4-Ethoxypyrimidin-2-YL)amino]ethyl}piperidin-4-YL)methanol
CID 122566202
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoro-4-methoxypyrimidin-2-amine
CID 124217019
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
2-[(2S)-1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
CID 129619767
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
5-fluoro-4-methoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129621022
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131893391
(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 164631265

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol (CID 122558726) is [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol is COc1nc(NCCN2CCC(CO)CC2)ncc1F.
What is the InChIKey of [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The InChIKey is KMEPWMAELMYEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-20-12-11(14)8-16-13(17-12)15-4-7-18-5-2-10(9-19)3-6-18/h8,10,19H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
[1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol has a molecular weight of 284.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 122558726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).