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

C11H15Cl2N3O — CID 156704511

IUPAC[1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C11H15Cl2N3O/c1-11(7-17)4-2-3-5-16(11)9-6-8(12)14-10(13)15-9/h6,17H,2-5,7H2,1H3
InChIKeyPLGPSJBUYHIYPI-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.52
Rot. Bonds2

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

[1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol (PubChem CID 156704511) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol
PubChem CID156704511
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name[1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol
SMILESCC1(CO)CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C11H15Cl2N3O/c1-11(7-17)4-2-3-5-16(11)9-6-8(12)14-10(13)15-9/h6,17H,2-5,7H2,1H3
InChIKeyPLGPSJBUYHIYPI-UHFFFAOYSA-N
XLogP2.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.52
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-methylpiperidin-2-yl]methanol?
The IUPAC name of [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol (CID 156704511) is [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol is CC1(CO)CCCCN1c1cc(Cl)nc(Cl)n1.
What is the InChIKey of [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol?
The InChIKey is PLGPSJBUYHIYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-11(7-17)4-2-3-5-16(11)9-6-8(12)14-10(13)15-9/h6,17H,2-5,7H2,1H3.
What are the key properties of [1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol?
[1-(2,6-dichloropyrimidin-4-yl)-2-methylpiperidin-2-yl]methanol has a molecular weight of 276.17 g/mol, XLogP of 2.52, 2 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-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 156704511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).