[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol

C14H21N3O — CID 97145143

IUPAC[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(c2ccnc(C)n2)C1
InChIInChI=1S/C14H21N3O/c1-3-6-14(11-18)7-4-9-17(10-14)13-5-8-15-12(2)16-13/h3,5,8,18H,1,4,6-7,9-11H2,2H3/t14-/m0/s1
InChIKeyJSUOVAQZKHMTMS-AWEZNQCLSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds4

About [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol

[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97145143) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97145143
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(c2ccnc(C)n2)C1
InChIInChI=1S/C14H21N3O/c1-3-6-14(11-18)7-4-9-17(10-14)13-5-8-15-12(2)16-13/h3,5,8,18H,1,4,6-7,9-11H2,2H3/t14-/m0/s1
InChIKeyJSUOVAQZKHMTMS-AWEZNQCLSA-N
XLogP1.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 97145143) is [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@]1(CO)CCCN(c2ccnc(C)n2)C1.
What is the InChIKey of [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is JSUOVAQZKHMTMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-6-14(11-18)7-4-9-17(10-14)13-5-8-15-12(2)16-13/h3,5,8,18H,1,4,6-7,9-11H2,2H3/t14-/m0/s1.
What are the key properties of [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol?
[(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-methylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97145143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).