ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate

C19H23N3O3 — CID 42806339

IUPACethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(Oc3ccc(C)cc3)ncn2)CC1
InChIInChI=1S/C19H23N3O3/c1-3-24-19(23)15-8-10-22(11-9-15)17-12-18(21-13-20-17)25-16-6-4-14(2)5-7-16/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyPTDKVSHRAIDADA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.36
Rot. Bonds5

About ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate

ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 42806339) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID42806339
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(Oc3ccc(C)cc3)ncn2)CC1
InChIInChI=1S/C19H23N3O3/c1-3-24-19(23)15-8-10-22(11-9-15)17-12-18(21-13-20-17)25-16-6-4-14(2)5-7-16/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyPTDKVSHRAIDADA-UHFFFAOYSA-N
XLogP3.36
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[6-(3-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42872770
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126850161
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53367115

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate (CID 42806339) is ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(Oc3ccc(C)cc3)ncn2)CC1.
What is the InChIKey of ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is PTDKVSHRAIDADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-24-19(23)15-8-10-22(11-9-15)17-12-18(21-13-20-17)25-16-6-4-14(2)5-7-16/h4-7,12-13,15H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate?
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 42806339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).