3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine

C18H25N3O2 — CID 141073783

IUPAC3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
SMILESCOc1cccc(OCC2CCN(CC3=NC=CNC3)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-22-17-3-2-4-18(11-17)23-14-15-5-9-21(10-6-15)13-16-12-19-7-8-20-16/h2-4,7-8,11,15,19H,5-6,9-10,12-14H2,1H3
InChIKeyANLSQVJLCFJUEE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.30
Rot. Bonds6

About 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine

3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine (PubChem CID 141073783) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine.

Molecular Properties

Compound Name3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
PubChem CID141073783
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
SMILESCOc1cccc(OCC2CCN(CC3=NC=CNC3)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-22-17-3-2-4-18(11-17)23-14-15-5-9-21(10-6-15)13-16-12-19-7-8-20-16/h2-4,7-8,11,15,19H,5-6,9-10,12-14H2,1H3
InChIKeyANLSQVJLCFJUEE-UHFFFAOYSA-N
XLogP2.30
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
CID 141073788
1-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]benzotriazole
CID 90748513
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
4-[(4-methoxyphenoxy)methyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 74236528
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
1-[(3-methoxyphenyl)methyl]-4-[[1-(3-methoxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]oxymethyl]piperidine
CID 70079103
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
The IUPAC name of 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine (CID 141073783) is 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine.
What is the SMILES notation for 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
The canonical SMILES for 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine is COc1cccc(OCC2CCN(CC3=NC=CNC3)CC2)c1.
What is the InChIKey of 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
The InChIKey is ANLSQVJLCFJUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-22-17-3-2-4-18(11-17)23-14-15-5-9-21(10-6-15)13-16-12-19-7-8-20-16/h2-4,7-8,11,15,19H,5-6,9-10,12-14H2,1H3.
What are the key properties of 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine has a molecular weight of 315.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine is sourced from PubChem (CID 141073783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).