[(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol

C13H21N3O2 — CID 97127392

IUPAC[(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2ncccn2)C1
InChIInChI=1S/C13H21N3O2/c1-18-9-5-13(11-17)4-2-8-16(10-13)12-14-6-3-7-15-12/h3,6-7,17H,2,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyOFYMMFUASREISU-ZDUSSCGKSA-N
MW251.33 g/mol
LogP1.09
Rot. Bonds5

About [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol

[(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol (PubChem CID 97127392) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol
PubChem CID97127392
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol
SMILESCOCC[C@@]1(CO)CCCN(c2ncccn2)C1
InChIInChI=1S/C13H21N3O2/c1-18-9-5-13(11-17)4-2-8-16(10-13)12-14-6-3-7-15-12/h3,6-7,17H,2,4-5,8-11H2,1H3/t13-/m0/s1
InChIKeyOFYMMFUASREISU-ZDUSSCGKSA-N
XLogP1.09
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol (CID 97127392) is [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol is COCC[C@@]1(CO)CCCN(c2ncccn2)C1.
What is the InChIKey of [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol?
The InChIKey is OFYMMFUASREISU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-9-5-13(11-17)4-2-8-16(10-13)12-14-6-3-7-15-12/h3,6-7,17H,2,4-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol?
[(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyethyl)-1-pyrimidin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 97127392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).