(4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol

C12H19N3O — CID 115527902

IUPAC(4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)C2CC(C)CCN2)n1
InChIInChI=1S/C12H19N3O/c1-8-3-5-14-11(7-8)12(16)10-4-6-13-9(2)15-10/h4,6,8,11-12,14,16H,3,5,7H2,1-2H3
InChIKeyLFESBRBLIATQGD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds2

About (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol

(4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527902) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527902
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)C2CC(C)CCN2)n1
InChIInChI=1S/C12H19N3O/c1-8-3-5-14-11(7-8)12(16)10-4-6-13-9(2)15-10/h4,6,8,11-12,14,16H,3,5,7H2,1-2H3
InChIKeyLFESBRBLIATQGD-UHFFFAOYSA-N
XLogP1.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol (CID 115527902) is (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)C2CC(C)CCN2)n1.
What is the InChIKey of (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is LFESBRBLIATQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-5-14-11(7-8)12(16)10-4-6-13-9(2)15-10/h4,6,8,11-12,14,16H,3,5,7H2,1-2H3.
What are the key properties of (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol?
(4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-2-yl)-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).