benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate

C19H23N3O3 — CID 121160967

IUPACbenzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OCc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H23N3O3/c1-14-12-18(21-15(2)20-14)25-17-8-10-22(11-9-17)19(23)24-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyKSTHCDFFZONMBA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.27
Rot. Bonds4

About benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate

benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 121160967) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID121160967
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namebenzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCN(C(=O)OCc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H23N3O3/c1-14-12-18(21-15(2)20-14)25-17-8-10-22(11-9-17)19(23)24-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyKSTHCDFFZONMBA-UHFFFAOYSA-N
XLogP3.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126854667
benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 122260418
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 121160844
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 121160967) is benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1cc(OC2CCN(C(=O)OCc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is KSTHCDFFZONMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-12-18(21-15(2)20-14)25-17-8-10-22(11-9-17)19(23)24-13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3.
What are the key properties of benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 121160967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).