[(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol

C13H21N3O2 — CID 99621171

IUPAC[(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol
SMILESCCOc1cc(N2C[C@@H](CO)CC[C@@H]2C)ncn1
InChIInChI=1S/C13H21N3O2/c1-3-18-13-6-12(14-9-15-13)16-7-11(8-17)5-4-10(16)2/h6,9-11,17H,3-5,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyRFBBIUXQNWIXIU-QWRGUYRKSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

About [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol

[(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol (PubChem CID 99621171) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol
PubChem CID99621171
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol
SMILESCCOc1cc(N2C[C@@H](CO)CC[C@@H]2C)ncn1
InChIInChI=1S/C13H21N3O2/c1-3-18-13-6-12(14-9-15-13)16-7-11(8-17)5-4-10(16)2/h6,9-11,17H,3-5,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyRFBBIUXQNWIXIU-QWRGUYRKSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol (CID 99621171) is [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol is CCOc1cc(N2C[C@@H](CO)CC[C@@H]2C)ncn1.
What is the InChIKey of [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol?
The InChIKey is RFBBIUXQNWIXIU-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-13-6-12(14-9-15-13)16-7-11(8-17)5-4-10(16)2/h6,9-11,17H,3-5,7-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol?
[(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-1-(6-ethoxypyrimidin-4-yl)-6-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 99621171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).