[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

C14H22FN3O3 — CID 97135772

IUPAC[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C14H22FN3O3/c1-20-7-5-14(10-19)4-3-6-18(9-14)13-16-8-11(15)12(17-13)21-2/h8,19H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyKRYYZMUOJRPZRX-AWEZNQCLSA-N
MW299.35 g/mol
LogP1.24
Rot. Bonds6

About [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol

[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 97135772) has the molecular formula C14H22FN3O3 and a molecular weight of 299.35 g/mol. Its IUPAC name is [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID97135772
Molecular FormulaC14H22FN3O3
Molecular Weight299.35 g/mol
Exact Mass299.16
IUPAC Name[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C14H22FN3O3/c1-20-7-5-14(10-19)4-3-6-18(9-14)13-16-8-11(15)12(17-13)21-2/h8,19H,3-7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyKRYYZMUOJRPZRX-AWEZNQCLSA-N
XLogP1.24
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol 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

[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
[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-{[(5-Fluoro-4-methoxypyrimidin-2-YL)(methyl)amino]methyl}cyclobutyl)methanol
CID 129620330
(1R*,3S*)-7-(5-fluoro-4-methoxy-2-pyrimidinyl)-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-1-ol
CID 72880202
1-(5-Fluoro-4-methoxypyrimidin-2-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 86283122
[(3R)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97135770
[(3R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97145587
[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97145588
(1-{2-[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]ethyl}piperidin-4-YL)methanol
CID 122558726
rel-(3S,4S)-4-{[(5-fluoro-4-methoxy-2-pyrimidinyl)amino]methyl}-3-piperidinol acetate (salt)
CID 122563009
5-fluoro-4-methoxy-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrimidin-2-amine
CID 122571483

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 97135772) is [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCC[C@@]1(CO)CCCN(c2ncc(F)c(OC)n2)C1.
What is the InChIKey of [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is KRYYZMUOJRPZRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22FN3O3/c1-20-7-5-14(10-19)4-3-6-18(9-14)13-16-8-11(15)12(17-13)21-2/h8,19H,3-7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 299.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97135772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).