methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate

C14H21N3O3 — CID 106837278

IUPACmethyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N2CCC(C(C)O)CC2)n1
InChIInChI=1S/C14H21N3O3/c1-9-8-12(16-13(15-9)14(19)20-3)17-6-4-11(5-7-17)10(2)18/h8,10-11,18H,4-7H2,1-3H3
InChIKeyQLPFTJDTASNORS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.17
Rot. Bonds3

About methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate

methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate (PubChem CID 106837278) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
PubChem CID106837278
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N2CCC(C(C)O)CC2)n1
InChIInChI=1S/C14H21N3O3/c1-9-8-12(16-13(15-9)14(19)20-3)17-6-4-11(5-7-17)10(2)18/h8,10-11,18H,4-7H2,1-3H3
InChIKeyQLPFTJDTASNORS-UHFFFAOYSA-N
XLogP1.17
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate (CID 106837278) is methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(N2CCC(C(C)O)CC2)n1.
What is the InChIKey of methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
The InChIKey is QLPFTJDTASNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-8-12(16-13(15-9)14(19)20-3)17-6-4-11(5-7-17)10(2)18/h8,10-11,18H,4-7H2,1-3H3.
What are the key properties of methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate?
methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(1-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 106837278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).