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

C17H27FN4O2 — CID 97145588

IUPAC[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C17H27FN4O2/c1-24-10-6-17(13-23)5-4-9-22(12-17)16-19-11-14(18)15(20-16)21-7-2-3-8-21/h11,23H,2-10,12-13H2,1H3/t17-/m0/s1
InChIKeySKAJHZDGPLLQCO-KRWDZBQOSA-N
MW338.43 g/mol
LogP1.83
Rot. Bonds6

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

[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 97145588) has the molecular formula C17H27FN4O2 and a molecular weight of 338.43 g/mol. Its IUPAC name is [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID97145588
Molecular FormulaC17H27FN4O2
Molecular Weight338.43 g/mol
Exact Mass338.21
IUPAC Name[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C17H27FN4O2/c1-24-10-6-17(13-23)5-4-9-22(12-17)16-19-11-14(18)15(20-16)21-7-2-3-8-21/h11,23H,2-10,12-13H2,1H3/t17-/m0/s1
InChIKeySKAJHZDGPLLQCO-KRWDZBQOSA-N
XLogP1.83
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
[8-(Cyclohexylmethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910444
2-[1-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]propan-2-ol
CID 50957693
[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
[3-(3-Methoxypropyl)-1-(5-pyrimidinylmethyl)-3-piperidinyl]methanol
CID 72927990
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
(1-{[(5-Fluoropyrimidin-2-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 131947034
(7RS,8aSR)-7-Hydroxymethyl-7-methyl-2-(5-fluoropyrimdin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 20682338
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
CID 69492780
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl]-2-methylpropan-1-ol
CID 172744912

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 97145588) is [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCC[C@@]1(CO)CCCN(c2ncc(F)c(N3CCCC3)n2)C1.
What is the InChIKey of [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is SKAJHZDGPLLQCO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27FN4O2/c1-24-10-6-17(13-23)5-4-9-22(12-17)16-19-11-14(18)15(20-16)21-7-2-3-8-21/h11,23H,2-10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 338.43 g/mol, XLogP of 1.83, 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-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97145588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).