4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine

C20H27N3O2 — CID 71891342

IUPAC4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
SMILESCCOc1ccccc1CN1CCCC(c2ccnc(COC)n2)C1
InChIInChI=1S/C20H27N3O2/c1-3-25-19-9-5-4-7-17(19)14-23-12-6-8-16(13-23)18-10-11-21-20(22-18)15-24-2/h4-5,7,9-11,16H,3,6,8,12-15H2,1-2H3
InChIKeyHYLFIYUASLOTAQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.40
Rot. Bonds7

About 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine

4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine (PubChem CID 71891342) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
PubChem CID71891342
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
SMILESCCOc1ccccc1CN1CCCC(c2ccnc(COC)n2)C1
InChIInChI=1S/C20H27N3O2/c1-3-25-19-9-5-4-7-17(19)14-23-12-6-8-16(13-23)18-10-11-21-20(22-18)15-24-2/h4-5,7,9-11,16H,3,6,8,12-15H2,1-2H3
InChIKeyHYLFIYUASLOTAQ-UHFFFAOYSA-N
XLogP3.40
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-benzylpiperidin-3-yl)-2-(methoxymethyl)pyrimidine
CID 141454585
4-[(3R)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 97063194
4-[1-(cyclohexylmethyl)piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891333
2-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzoxazole
CID 154774777
5-chloro-4-[[3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiadiazole
CID 71891331
2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126439547
(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335431
4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45227427
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
6-[(3R)-1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-N,N-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 125018904

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine (CID 71891342) is 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine is CCOc1ccccc1CN1CCCC(c2ccnc(COC)n2)C1.
What is the InChIKey of 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
The InChIKey is HYLFIYUASLOTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-25-19-9-5-4-7-17(19)14-23-12-6-8-16(13-23)18-10-11-21-20(22-18)15-24-2/h4-5,7,9-11,16H,3,6,8,12-15H2,1-2H3.
What are the key properties of 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine?
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine has a molecular weight of 341.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 71891342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).