[1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol

C12H17Cl2N3O — CID 156704485

IUPAC[1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol
SMILESCCC1(CO)CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C12H17Cl2N3O/c1-2-12(8-18)5-3-4-6-17(12)10-7-9(13)15-11(14)16-10/h7,18H,2-6,8H2,1H3
InChIKeyOJMSYJWLYURHCC-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.91
Rot. Bonds3

About [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol

[1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol (PubChem CID 156704485) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol
PubChem CID156704485
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name[1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol
SMILESCCC1(CO)CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C12H17Cl2N3O/c1-2-12(8-18)5-3-4-6-17(12)10-7-9(13)15-11(14)16-10/h7,18H,2-6,8H2,1H3
InChIKeyOJMSYJWLYURHCC-UHFFFAOYSA-N
XLogP2.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol?
The IUPAC name of [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol (CID 156704485) is [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol is CCC1(CO)CCCCN1c1cc(Cl)nc(Cl)n1.
What is the InChIKey of [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol?
The InChIKey is OJMSYJWLYURHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-2-12(8-18)5-3-4-6-17(12)10-7-9(13)15-11(14)16-10/h7,18H,2-6,8H2,1H3.
What are the key properties of [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol?
[1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol has a molecular weight of 290.19 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloropyrimidin-4-yl)-2-ethylpiperidin-2-yl]methanol is sourced from PubChem (CID 156704485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).