2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine

C19H25N3O3 — CID 77097117

IUPAC2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
SMILESCOCc1cc(CN2CCC(Oc3ncccn3)CC2)ccc1OC
InChIInChI=1S/C19H25N3O3/c1-23-14-16-12-15(4-5-18(16)24-2)13-22-10-6-17(7-11-22)25-19-20-8-3-9-21-19/h3-5,8-9,12,17H,6-7,10-11,13-14H2,1-2H3
InChIKeyTZDAQUMXHXIOHB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.67
Rot. Bonds7

About 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine

2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine (PubChem CID 77097117) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
PubChem CID77097117
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
SMILESCOCc1cc(CN2CCC(Oc3ncccn3)CC2)ccc1OC
InChIInChI=1S/C19H25N3O3/c1-23-14-16-12-15(4-5-18(16)24-2)13-22-10-6-17(7-11-22)25-19-20-8-3-9-21-19/h3-5,8-9,12,17H,6-7,10-11,13-14H2,1-2H3
InChIKeyTZDAQUMXHXIOHB-UHFFFAOYSA-N
XLogP2.67
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
2-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxypyrimidine
CID 91832687
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633851
(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 51633849
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163350527
5-benzyl-2-[1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-4-yl]pyridine
CID 129459414
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
(3R,4S)-4-hydroxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 163304896
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine (CID 77097117) is 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine is COCc1cc(CN2CCC(Oc3ncccn3)CC2)ccc1OC.
What is the InChIKey of 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine?
The InChIKey is TZDAQUMXHXIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-23-14-16-12-15(4-5-18(16)24-2)13-22-10-6-17(7-11-22)25-19-20-8-3-9-21-19/h3-5,8-9,12,17H,6-7,10-11,13-14H2,1-2H3.
What are the key properties of 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine?
2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine has a molecular weight of 343.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 77097117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).